Download as rtf, pdf, or txt
Download as rtf, pdf, or txt
You are on page 1of 9

Chemical Structure task started on Sat Jun 11, 2005 at 4:51 PM

SEARCH for structures with only specified variability


Explored Reactions containing Chemical Structure in CASREACT.
Input structure:

O O

product

Copyrights:

CAPLUS: Copyright 2005 ACS (The UK patent material in this product/service is UK Crown copyright and is made
available with permission. (C) Crown Copyright.    The French (FR)
patent material in this product/service is made available from Institut
National de la Propriete Industrielle (INPI).)   
MEDLINE: Produced by the U.S. National Library of Medicine
REGISTRY: Copyright 2005 ACS (Some records contain information from GenBank(R). See also: Benson D.A.,
Karsch-Mizrachi I., Lipman D.J., Ostell J., Rapp B.A., Wheeler D.L.
Genbank. Nucl. Acids Res. 28(1):15-18 (2000). Property values tagged
with IC are from the ZIC/VINITI data file provided by InfoChem.)
CASREACT: Copyright 2005 ACS (In addition to reactions indexed by CAS, CASREACT contains reactions
derived from the following sources:    ZIC/VINITI database (1974-1991)
provided by InfoChem, INPI data prior to 1986, and Biotransformations
database compiled under the direction of Professor Dr. Klaus Kieslich.)
CHEMLIST, CHEMCATS: Copyright 2005    ACS

O O
O
4-MeC6 H4OH, C:ZrCl4
HO C C CH Me
62%

NOTE: Pechmann condensation, green chem. - no solvent,


Reactants: 2, Catalysts: 1,
Steps: 1, Stages: 1

Journal of Chemical Research,    (7), 480-481; 2004


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)
O CH2 OMe
O O
O CHO
1.1 S: THF
1.2 R: AcOH, S:H2O
Me2 N C CH2 - +
2 R: AcOH, S:AcOH Me
· Li +
90%
Me

NOTE: Reactants: 2, Reagents: 1, Solvents: 3,


Steps: 2, Stages: 3, Most stages in any one step: 2

Tetrahedron Letters, 28(49), 6137-8; 1987


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

Me
O O

R:AcOH, S:AcOH
CH CH2 C NMe2 Me
90%
MeO CH 2 O OH O

NOTE: Reactants: 1, Reagents: 1, Solvents: 1,


Steps: 1, Stages: 1

Tetrahedron Letters, 28(49), 6137-8; 1987


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

1 4-MeC6 H4OH, R:p-MeC6 H4SO3H, S:CH2 Cl 2


2.1 R:TMEDA, R:BuLi, S:Et2 O, S:Hexane O O
2.2 DMF
H3C O CH 2 O CH3 3.1 AcNMe2 , R:LiN(Pr-i) 2, S:Hexane,

S:THF Me
3.2 S:THF 90%
4 R:AcOH, S:AcOH

NOTE: Reactants: 4, Reagents: 5, Solvents: 5,


Steps: 4, Stages: 6, Most stages in any one step: 2

Journal of Organic Chemistry, 53(17), 3936-43; 1988


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

1.1 R:TMEDA, R:BuLi, S:Et2 O, S:Hexane


O O
MeO CH 2 O 1.2 DMF
2.1 AcNMe 2, R:LiN(Pr-i) 2, S:Hexane,

S:THF Me
Me 2.2 S:THF
90%
3 R:AcOH, S:AcOH

NOTE: Reactants: 3, Reagents: 4, Solvents: 4,


Steps: 3, Stages: 5, Most stages in any one step: 2

Journal of Organic Chemistry, 53(17), 3936-43; 1988


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O CH2 OMe

CHO O O
Me 1.1 R:LiN(Pr-i)2, S:Hexane, S:THF
+ 1.2 S:THF
Me N Ac 2 R:AcOH, S:AcOH Me
90%
Me
(Step 1.2)

NOTE: Reactants: 2, Reagents: 2, Solvents: 3,


Steps: 2, Stages: 3, Most stages in any one step: 2

Journal of Organic Chemistry, 53(17), 3936-43; 1988


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)
Me
O O

R:AcOH, S:AcOH
CH CH2 C NMe2 Me
90%
MeO CH 2 O OH O

NOTE: Reactants: 1, Reagents: 1, Solvents: 1,


Steps: 1, Stages: 1

Journal of Organic Chemistry, 53(17), 3936-43; 1988


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O S O O

1 R:MCPBA, S:CHCl3 , S:Et 2O

Me Me

NOTE: 2) UV,
Reactants: 1, Reagents: 1, Solvents: 2,
Steps: 2, Stages: 2

Monatshefte fuer Chemie, 118(10), 1197-9; 1987


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O
O O
O S

Me
Me

NOTE: UV,
Rea ctants: 1,
Ste ps: 1, Stages: 1

Monatshefte fuer Chemie, 118(10), 1197-9; 1987


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)
O
O O O 1.1 R:SOCl2, S:CH2 Cl 2
1.2 4-MeC 6H4 OH, R:Et 3N, S:CH 2Cl 2
MeO C CH 2 CH2 S CH 2 CH2 C OMe 2 R:K2CO3, S:Me2 CO Me
92%

NOTE: Reactants: 2, Reagents: 3, Solvents: 2,


Steps: 2, Stages: 3, Most stages in any one step: 2

Journal of the Chemical Society, Perkin Transactions 1:    Organic and Bio-Organic Chemistry (1972-1999),    (8),
1753-6; 1987
CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

Me

O O
O
R:K2 CO3 , S:Me2CO
CH CH 2 C OMe
Me
OH S CH2 CH 2 C OMe 92%

NOTE: Reactants: 1, Reagents: 1, Solvents: 1,


Steps: 1, Stages: 1

Journal of the Chemical Society, Perkin Transactions 1:    Organic and Bio-Organic Chemistry (1972-1999),    (8),
1753-6; 1987
CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O O
Me
1 S:ClCH 2CH 2Cl

2 R:H 2SO 4, R:SO3


Me
HO
90%

NOTE: Reactants: 1, Reagents: 2, Solvents: 1,


Steps: 2, Stages: 2

Chemische Berichte, 120(3), 373-8; 1987


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O
O O
EtO CH CH C O
R:H2SO4, R:SO3
Me
90%
Me

NOTE: Reactants: 1, Reagents: 2,


Steps: 1, Stages: 1

Chemische Berichte, 120(3), 373-8; 1987


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

Me

O O
O
+ S:Benzene
MeO C CH AsPh3
CHO Me

OH

NOTE: Reactants: 2, Solvents: 1,


Steps: 1, Stages: 1

Youji Huaxue,    (2), 144-6; 1985


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O O
O 1 4-MeC 6H4 OH

Cl C CH CH Ph 2 R:AlCl3
Me
40%

NOTE: Rea ctants: 2 , Reagents: 1,


Ste ps: 2, St ages: 2

Indian Journal of Chemistry, Section B:    Organic Chemistry Including Medicinal Chemistry, 18B(4), 324-30; 1979
CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O O O O

R:AlCl3
Me Me
Ph 50%

NOTE: Reactants: 1 , Reagents: 1,


Steps: 1, St ages: 1

Indian Journal of Chemistry, Section B:    Organic Chemistry Including Medicinal Chemistry, 18B(4), 324-30; 1979
CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O
O O
Ph CH CH C O
R:AlCl3
Me
40%
Me

NOTE: Reactants: 1, Reagents: 1,


Steps: 1, Stages: 1

Indian Journal of Chemistry, Section B:    Organic Chemistry Including Medicinal Chemistry, 18B(4), 324-30; 1979
CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O O
Me
1 PhCH=CHC(=O) Cl, R: AlCl3
2 R:AlCl 3

3 R:AlCl 3 Me
HO
50%

NOTE: Reactants: 2, Reagents: 1,


Steps: 3, Stages: 3

Synthesis,    (11), 739-41; 1975


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)
O
O O
Ph CH CH C O 1 R:AlCl 3

2 R:AlCl 3 Me
50%
Me

NOTE: Reactants: 1, Reagents: 1,


Steps: 2, Stages: 2

Synthesis,    (11), 739-41; 1975


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O O O
O

R:AlCl3
Me Me
Ph 50%

NOTE: Reactants: 1 , Reagents: 1,


Steps: 1, St ages: 1

Synthesis,    (11), 739-41; 1975


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

O O O O

Me Me

NOTE: Rea ctants: 1,


Ste ps: 1, Stages: 1

Neth. Appl., 7211839, 04 Mar 1974


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)
O O
OH
4-MeC 6H4 OH, R:H2SO4
HO2 C CH CH2 CO2 H Me
32%

NOTE: Cla ssification: Annelation; Decarboxylation; Lactonisation; Dehydration; #


Con ditions: H2SO4 conc 150 deg,
Rea ctants: 2, Reagents: 1,
Ste ps: 1, Stages: 1

Journal of the American Chemical Society, 62, 3067-70; 1940


CASREACT
(Copyright 2005 ACS. In addition to reactions indexed by CAS, CASREACT contains reactions derived from the
following sources: ZIC/VINITI database (1974-1991) provided by InfoChem, INPI data prior to 1986, and
Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich.)

You might also like