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

Names

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

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

DownStream

Related Compounds

2-(4-((7-(2-Fluorophenyl)-1,4-thiazepan-4-yl)sulfonyl)phenoxy)acetamide
(7-(benzo[d][1,3]dioxol-5-yl)-1,4-thiazepan-4-yl)(2-phenyl-2H-1,2,3-triazol-4-yl)methanone
(E)-1-(7-(benzo[d][1,3]dioxol-5-yl)-1,4-thiazepan-4-yl)-3-(2-chlorophenyl)prop-2-en-1-one
(7-(Benzo[d][1,3]dioxol-5-yl)-1,4-thiazepan-4-yl)(benzo[d]thiazol-6-yl)methanone
(2-Azidoethyl)trimethylazanium iodide
Tert-butyl (4-chloro-2-methylbenzyl)carbamate
1-(1-Aminoethyl)cyclopentane-1-carboxylic acid
(7-(Benzo[d][1,3]dioxol-5-yl)-1,4-thiazepan-4-yl)(2-chlorophenyl)methanone
(7-(Benzo[d][1,3]dioxol-5-yl)-1,4-thiazepan-4-yl)(2-bromophenyl)methanone
(7-(Benzo[d][1,3]dioxol-5-yl)-1,4-thiazepan-4-yl)(2-chloro-6-fluorophenyl)methanone

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