2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid

Modify Date: 2024-04-05 17:09:16

2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid Structure
2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid structure
Common Name 2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid
CAS Number 89450-91-9 Molecular Weight 306.31900
Density 1.389g/cm3 Boiling Point 561.3ºC at 760 mmHg
Molecular Formula C17H14N4O2 Melting Point N/A
MSDS N/A Flash Point 293.2ºC

 Names

Name 2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.389g/cm3
Boiling Point 561.3ºC at 760 mmHg
Molecular Formula C17H14N4O2
Molecular Weight 306.31900
Flash Point 293.2ºC
Exact Mass 306.11200
PSA 90.37000
LogP 3.15690
Index of Refraction 1.731

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CB2541000
CHEMICAL NAME :
Anthranilic acid, N-(2-anilino-4-pyrimidinyl)-
CAS REGISTRY NUMBER :
89450-91-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H14-N4-O2
MOLECULAR WEIGHT :
306.35
WISWESSER LINE NOTATION :
T6N CNJ BMR& DMR BVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1130 mg/kg
TOXIC EFFECTS :
Behavioral - analgesia
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 47,18,1984

 Synthetic Route

~79%

2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid Structure

2-[(2-anilinopy...

CAS#:89450-91-9

Literature: Karn, V. K.; Tat'yanchenko, I. S.; Portnyagina, V. A.; Mokhort, N. A.; Ryabukha, T. K.; Vinnikova, A. V. Pharmaceutical Chemistry Journal, 1983 , vol. 17, # 11 p. 777 - 779 Khimiko-Farmatsevticheskii Zhurnal, 1983 , vol. 17, # 11 p. 1304 - 1307

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2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid Structure

2-[(2-anilinopy...

CAS#:89450-91-9

Literature: Liu, Mei; Wang, Sanyi; Clampit, Jill E.; Gum, Rebecca J.; Haasch, Deanna L.; Rondinone, Cristina M.; Trevillyan, James M.; Abad-Zapatero, Cele; Fry, Elizabeth H.; Sham, Hing L.; Liu, Gang Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 3 p. 668 - 672

 Synonyms

2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzoic acid
Benzoic acid,2-((2-(phenylamino)-4-pyrimidinyl)amino)
N-(2-(PHENYLAMINO)-PYRIMIDIN-4-YL)ANTHRANILIC ACID
N4-(2-carboxyphenyl)-N2-(phenyl)pyrimidine-2,4-diamine
ANTHRANILIC ACID,N-(2-ANILINO-4-PYRIMIDINYL)
2-Phenylamino-4-(o-carboxyphenylamino)pyrimidine
N-(2-Anilino-4-pyrimidinyl)anthranilic acid
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