2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid

Modify Date: 2024-01-14 18:22:27

2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid Structure
2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid structure
Common Name 2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid
CAS Number 6742-32-1 Molecular Weight 218.24800
Density 1.194g/cm3 Boiling Point 418.7ºC at 760 mmHg
Molecular Formula C13H14O3 Melting Point N/A
MSDS N/A Flash Point 221.2ºC

 Names

Name 2-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.194g/cm3
Boiling Point 418.7ºC at 760 mmHg
Molecular Formula C13H14O3
Molecular Weight 218.24800
Flash Point 221.2ºC
Exact Mass 218.09400
PSA 54.37000
LogP 2.29650
Index of Refraction 1.555

 Synthetic Route

~95%

2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid Structure

2-(6-oxo-5-bicy...

CAS#:6742-32-1

Literature: Rigel Pharmaceuticals, Inc. Patent: US2009/111816 A1, 2009 ; Location in patent: Page/Page column 48; 51 ; US 20090111816 A1

~%

2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid Structure

2-(6-oxo-5-bicy...

CAS#:6742-32-1

Literature: RIGEL PHARMACEUTICALS, INC.; SINGH, Rajinder; HECKRODT, Thilo, J.; HOLLAND, Sacha Patent: WO2010/5876 A2, 2010 ; Location in patent: Page/Page column 60 ; WO 2010/005876 A2

~%

2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid Structure

2-(6-oxo-5-bicy...

CAS#:6742-32-1

Literature: Horton et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 4587

~%

2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid Structure

2-(6-oxo-5-bicy...

CAS#:6742-32-1

Literature: Horton et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 4587

~%

2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid Structure

2-(6-oxo-5-bicy...

CAS#:6742-32-1

Literature: Horton et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 4587

~%

2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid Structure

2-(6-oxo-5-bicy...

CAS#:6742-32-1

Literature: Horton et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 4587

~%

2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acid Structure

2-(6-oxo-5-bicy...

CAS#:6742-32-1

Literature: Fontenla; Osuna; Rosa; Castro; G-Ferreiro; Loza-Garcia; Calleja; Sanz; Rodriguez; Ravina; Fueyo; F-Masaguer; Vidal; De Ceballos Journal of Medicinal Chemistry, 1994 , vol. 37, # 16 p. 2564 - 2573

 Synonyms

(5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)-acetic acid
1-Benzosuberon-2-essigsaeure
(5-Oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)-essigsaeure
2-(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)acetic acid
2-(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-yl)acetic acid