2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-

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Names

[ CAS No. ]:
3967-01-9

[ Name ]:
2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-

[Synonym ]:
4-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
4-methyl-1H-2,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
4-METHYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-2-ONE
4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
4-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
4-Methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-on
4-Methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one
1H-1,5-BENZODIAZEPIN-2-ONE,2,3,4,5-TETRAHYDRO-4-METHYL
1,3,4,5-tetrahydro-4-methyl-1,5-benzodiazepin-2-one

Chemical & Physical Properties

[ Density]:
1.084g/cm3

[ Boiling Point ]:
370.3ºC at 760mmHg

[ Melting Point ]:
180ºC

[ Molecular Formula ]:
C10H12N2O

[ Molecular Weight ]:
176.22

[ Flash Point ]:
167.9ºC

[ Exact Mass ]:
176.09500

[ PSA ]:
41.13000

[ LogP ]:
2.10520

[ Index of Refraction ]:
1.526

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF2745000
CHEMICAL NAME :
1H-1,5-Benzodiazepin-2-one, 2,3,4,5-tetrahydro-4-methyl-
CAS REGISTRY NUMBER :
3967-01-9
BEILSTEIN REFERENCE NO. :
0166063
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H12-N2-O
MOLECULAR WEIGHT :
176.24
WISWESSER LINE NOTATION :
T67 GMV KM&TJ J1

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 :
1440 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 31,615,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1042 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 31,615,1979

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Crotonic acid
  • o-Phenylenediamine
  • 1-(2-BUTENOYL)-1H-BENZOTRIAZOLE
  • Crotonic acid
  • ethyl 3-(2-nitrophenylamino)butanoate
  • 2H-1,5-Benzodiazepin-2-one,1,3-dihydro-4-methyl-

DownStream

  • 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2-(4,4-Difluoropiperidine-1-carbonyl)-4-(5-ethylpyrimidin-2-yl)morpholine
  • 4-(4-{[(3-Methylpyridin-4-yl)oxy]methyl}piperidin-1-yl)pyrimidine
  • 4-Cyclopropyl-6-{4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl}pyrimidine
  • tert-butyl N-[1-(4-cyano-2-fluorophenyl)-1H-pyrazol-3-yl]carbamate
  • 4-[4-(5-Fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-2-(methylsulfanyl)pyrimidine
  • N-cyclopropyl-1-(3-fluoropropyl)piperidine-4-carboxamide
  • 2-[4-(Cyclopropanesulfonyl)piperazin-1-yl]-4-(pyridin-2-yl)pyrimidine
  • 3-Methyl-4-({1-[(1,3-thiazol-5-yl)methyl]piperidin-4-yl}methoxy)pyridine
  • N-methyl-N-{1-[6-(trifluoromethyl)pyridin-3-yl]piperidin-4-yl}cyclopropanesulfonamide
  • 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]propanamide