2-allyl-1,1-dioxo-1,4-dihydro-2H-1λ6-benzo[e][1,2]thiazin-3-one

Names

[ CAS No. ]:
31848-18-7

[ Name ]:
2-allyl-1,1-dioxo-1,4-dihydro-2H-1λ6-benzo[e][1,2]thiazin-3-one

[Synonym ]:
2-allyl-2-hydroxy-1-tetralone
2-Allyl-3,4-dihydro-3-oxo-2H-1,2-benzothiazin-S-dioxid
2-allyl-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one

Chemical & Physical Properties

[ Density]:
1.321g/cm3

[ Boiling Point ]:
394.5ºC at 760mmHg

[ Molecular Formula ]:
C11H11NO3S

[ Molecular Weight ]:
237.27500

[ Flash Point ]:
192.4ºC

[ Exact Mass ]:
237.04600

[ PSA ]:
62.83000

[ LogP ]:
1.96470

[ Index of Refraction ]:
1.588

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL0737000
CHEMICAL NAME :
2H-1,2-Benzothiazin-3(4H)-one, 2-allyl-, 1,1-dioxide
CAS REGISTRY NUMBER :
31848-18-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H11-N-O3-S
MOLECULAR WEIGHT :
237.29
WISWESSER LINE NOTATION :
T66 BSWNV EHJ C2U1

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 :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,1133,1973

Synthetic Route

Precursor & DownStream

Precursor

  • allyl bromide
  • 2H-1,2-Benzothiazin-3(4H)-one 1,1-dioxide

DownStream


Related Compounds

  • 2-(2-Bromo-6-fluorophenyl)-1,1-difluoropropan-2-amine
  • 3-{5-Chlorothieno[3,2-b]pyridin-2-yl}prop-2-enoic acid
  • 1-[1-(5-Bromo-2-methoxyphenyl)cyclopropyl]cyclopropan-1-amine
  • 5-(3-Bromo-5-methoxypyridin-4-yl)-1,3-oxazol-2-amine
  • O-{[1-(6-chloro-5-methylpyridin-3-yl)cyclopropyl]methyl}hydroxylamine
  • tert-butyl N-[2-amino-1-(6-chloropyridin-2-yl)ethyl]carbamate
  • 2-(5-Bromo-2-methylphenyl)-1,1-difluoropropan-2-amine
  • 2-(2-Bromo-4-chlorophenyl)-1-methylpiperazine
  • (1-Chloroisoquinolin-3-yl)methyl sulfamate
  • 3-(2-Bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
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