4(3H)-Pyrimidinone, 2-(methylthio)-3-phenyl-

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Names

[ CAS No. ]:
89069-18-1

[ Name ]:
4(3H)-Pyrimidinone, 2-(methylthio)-3-phenyl-

Chemical & Physical Properties

[ Density]:
1.21g/cm3

[ Boiling Point ]:
351.3ºC at 760 mmHg

[ Molecular Formula ]:
C11H10N2OS

[ Molecular Weight ]:
218.27500

[ Flash Point ]:
166.2ºC

[ Exact Mass ]:
218.05100

[ PSA ]:
60.19000

[ LogP ]:
1.95440

[ Index of Refraction ]:
1.628

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7537800
CHEMICAL NAME :
4(3H)-Pyrimidinone, 2-(methylthio)-3-phenyl-
CAS REGISTRY NUMBER :
89069-18-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H10-N2-O-S
MOLECULAR WEIGHT :
218.29

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 :
400 mg/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - urine volume increased Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 22,789,1983

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-phenyl-2-methyl-2-thiopseudourea
  • Ethyl propiolate
  • ketene
  • 1-phenyl-4-dimethylamino-2-thiomethyl-1,3-diazabutadiene

DownStream

Related Compounds

  • 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-
  • 3-benzyl-2-methylsulfanylpyrimidin-4-one
  • 4(3H)-Pyrimidinone,2-(methylthio)-6-phenyl-
  • 4(3H)-Pyrimidinone,2-amino-6-methyl-5-[(3-phenyl-2-propen-1-yl)amino]-
  • 4(3H)-Pyrimidinone,2-(methylthio)-5-(phenylmethoxy)-
  • 4(3H)-Pyrimidinone, 2-(methylthio)- (9CI)
  • (2R)-3-(4-bromophenyl)-2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]propanoic acid
  • 1-benzyl-4-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanamido]piperidine-4-carboxylic acid
  • 1-benzyl-4-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]piperidine-4-carboxylic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(4-hydroxy-1-methylpiperidin-4-yl)methyl]carbamoyl}propanoic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[4-(1H-1,2,3,4-tetrazol-5-yl)butyl]carbamoyl}propanoic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-[3-(hydroxymethyl)-3-methoxypyrrolidin-1-yl]-5-oxopentanoic acid
  • 4-(3-cyclopropylpyrrolidin-1-yl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanoic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-[4-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutanoic acid
  • 3-[(2R)-3-(4-bromophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]propanoic acid
  • 2-[(2R)-N-benzyl-3-(4-bromophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]acetic acid
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