6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol

Names

[ CAS No. ]:
26638-56-2

[ Name ]:
6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol

[Synonym ]:
5,11-Dihydro-10,10-dioxo-5-hydroxy-11-methyl-dibenzo-<c,f>-thiazepin
6,11-dihydro-11-hydroxy-6-methyl-dibenzo<c,f><1,2>thiazepine S,S-dioxide

Chemical & Physical Properties

[ Density]:
1.387g/cm3

[ Boiling Point ]:
455.2ºC at 760 mmHg

[ Molecular Formula ]:
C14H13NO3S

[ Molecular Weight ]:
275.32300

[ Flash Point ]:
229.1ºC

[ Exact Mass ]:
275.06200

[ PSA ]:
65.99000

[ LogP ]:
3.05260

[ Vapour Pressure ]:
4.45E-09mmHg at 25°C

[ Index of Refraction ]:
1.655

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HQ2316000
CHEMICAL NAME :
Dibenzo(c,f)(1,2)thiazepin-11-ol, 6,11-dihydro-6-methyl-, 5,5-dioxide
CAS REGISTRY NUMBER :
26638-56-2
LAST UPDATED :
199803
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H13-N-O3-S
MOLECULAR WEIGHT :
275.34

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 :
>750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARPMAS Archiv der Pharmazie (Weinheim, Germany) (VCH Pub., Inc., 303 NW 12th Ave., Deerfield Beach, FL 33441) V.51-261, 1835-1923; V.305- 1972- Volume(issue)/page/year: 327,157,1994

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 6-methyl-5,5-dioxo-5,6-dihydro-5λ6-dibenzo[c,f][1,2]thiazepin-11-one

DownStream

Related Compounds

  • 1-(3-Chloro-4-methoxyphenyl)cyclobutane-1-carbonitrile
  • 1-(2-Chloro-4-methoxyphenyl)cyclobutane-1-carbonitrile
  • o-[(3,5-Dichloro-2-methoxyphenyl)methyl]hydroxylamine
  • 1-(4-Fluorophenyl)-3,3-dimethylpiperazin-2-one
  • 2-(3-Methoxy-2-methylphenyl)-3-methylbutanoic acid
  • Cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone
  • (3-Fluoro-2-methylphenyl)methanesulfonyl chloride
  • 1-Ethyl-3-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid
  • 3-(2,5-Dimethylpyrrol-1-yl)-1-(2-fluorophenyl)-1H-pyrazole
  • 1-Cyclohexyl-4-oxocyclohexane-1-carboxylic acid
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