3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]propanoic acid

Modify Date: 2024-01-10 21:08:53

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]propanoic acid Structure
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]propanoic acid structure
 Common Name 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]propanoic acid
CAS Number 71576-05-1 Molecular Weight 310.75600
Density 1.479g/cm3 Boiling Point N/A
Molecular Formula C13H11ClN2O3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.479g/cm3
Molecular Formula C13H11ClN2O3S
Molecular Weight 310.75600
Exact Mass 310.01800
PSA 111.02000
LogP 3.91630
Index of Refraction 1.657

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK7761172
CHEMICAL NAME :
Butanoic acid, 4-((4-(4-chlorophenyl)-2-thiazolyl)amino)-4-oxo-
CAS REGISTRY NUMBER :
71576-05-1
LAST UPDATED :
199609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H11-Cl-N2-O3-S
MOLECULAR WEIGHT :
310.77

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0001727

 Synthetic Route

methyl 4-((4-(4-chlorophenyl)thiazol-2-yl)amino)-4-oxobutanoate structure

methyl 4-((4-(4...

CAS#:905405-03-0

~75%

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]propanoic acid Structure

3-[[4-(4-chloro...

CAS#:71576-05-1
Literature: Xu, Qinyuan; Huang, Li; Liu, Juan; Ma, Liang; Chen, Tao; Chen, Jinying; Peng, Fei; Cao, Dong; Yang, Zhuang; Qiu, Neng; Qiu, Jingxiang; Wang, Guangcheng; Liang, Xiaolin; Peng, Aihua; Xiang, Mingli; Wei, Yuquan; Chen, Lijuan European Journal of Medicinal Chemistry, 2012 , vol. 52, p. 70 - 81
Succinic anhydride structure

Succinic anhydride

CAS#:108-30-5
2-amino-4-(4-chlorophenyl)thiazole structure

2-amino-4-(4-ch...

CAS#:2103-99-3

~30%

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]propanoic acid Structure

3-[[4-(4-chloro...

CAS#:71576-05-1
Literature: Wang, Yue; Wang, Fang; Guan, Xin-Lei; Wang, Can-Ming; Cao, Hui; Li, Ming-Xing; Chen, Jian-Guo; Jiang, Feng-Chao; Li, Lei; Yu, Jun-Ping Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 21 p. 6513 - 6522,10 Title/Abstract Show Details Wang, Yue; Wang, Fang; Yu, Jun-Ping; Jiang, Feng-Chao; Guan, Xin-Lei; Wang, Can-Ming; Li, Lei; Cao, Hui; Li, Ming-Xing; Chen, Jian-Guo Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 21 p. 6513 - 6522
1-(4-Chlorophenyl)ethanone structure

1-(4-Chlorophen...

CAS#:99-91-2

~%

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]propanoic acid Structure

3-[[4-(4-chloro...

CAS#:71576-05-1
Literature: Xu, Qinyuan; Huang, Li; Liu, Juan; Ma, Liang; Chen, Tao; Chen, Jinying; Peng, Fei; Cao, Dong; Yang, Zhuang; Qiu, Neng; Qiu, Jingxiang; Wang, Guangcheng; Liang, Xiaolin; Peng, Aihua; Xiang, Mingli; Wei, Yuquan; Chen, Lijuan European Journal of Medicinal Chemistry, 2012 , vol. 52, p. 70 - 81
2-Bromo-4'-chloroacetophenone structure

2-Bromo-4'-chlo...

CAS#:536-38-9

~%

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]propanoic acid Structure

3-[[4-(4-chloro...

CAS#:71576-05-1
Literature: Xu, Qinyuan; Huang, Li; Liu, Juan; Ma, Liang; Chen, Tao; Chen, Jinying; Peng, Fei; Cao, Dong; Yang, Zhuang; Qiu, Neng; Qiu, Jingxiang; Wang, Guangcheng; Liang, Xiaolin; Peng, Aihua; Xiang, Mingli; Wei, Yuquan; Chen, Lijuan European Journal of Medicinal Chemistry, 2012 , vol. 52, p. 70 - 81
2-amino-4-(4-chlorophenyl)thiazole structure

2-amino-4-(4-ch...

CAS#:2103-99-3

~%

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]propanoic acid Structure

3-[[4-(4-chloro...

CAS#:71576-05-1
Literature: Xu, Qinyuan; Huang, Li; Liu, Juan; Ma, Liang; Chen, Tao; Chen, Jinying; Peng, Fei; Cao, Dong; Yang, Zhuang; Qiu, Neng; Qiu, Jingxiang; Wang, Guangcheng; Liang, Xiaolin; Peng, Aihua; Xiang, Mingli; Wei, Yuquan; Chen, Lijuan European Journal of Medicinal Chemistry, 2012 , vol. 52, p. 70 - 81

 Synonyms

3-[[4-(4-CHLOROPHENYL)-1,3-THIAZOL-2-YL]CARBAMOYL]PROPANOIC ACID
4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)-4-oxobutanoic acid
4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid
Butanoic acid,4-((4-(4-chlorophenyl)-2-thiazolyl)amino)-4-oxo
Acide N(p-chlorophenyl-4 thiazolyl-2) succinamique [French]
F 1683
4-(4-(4-chlorophenyl)thiazol-2-ylamino)-4-oxobutanoic acid
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