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

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Names

[ CAS No. ]:
80306-56-5

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

[Synonym ]:
3-(2-methoxyphenyl)-2-methylthio-4(3H)-pyrimidinone
4(3H)-Pyrimidinone,3-(2-methoxyphenyl)-2-(methylthio)

Chemical & Physical Properties

[ Density]:
1.23g/cm3

[ Boiling Point ]:
390.9ºC at 760 mmHg

[ Molecular Formula ]:
C12H12N2O2S

[ Molecular Weight ]:
248.30100

[ Flash Point ]:
190.2ºC

[ Exact Mass ]:
248.06200

[ PSA ]:
69.42000

[ LogP ]:
1.96300

[ Index of Refraction ]:
1.607

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7526740
CHEMICAL NAME :
4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-
CAS REGISTRY NUMBER :
80306-56-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H12-N2-O2-S
MOLECULAR WEIGHT :
248.32

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 :
600 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
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

  • N-(2-methoxyphenyl)-S-methylisothiourea
  • Ethyl propiolate

DownStream

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[(3-bromo-5-fluorophenyl)methyl]-N-methylcyclopropanamine