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

Methyl 2-phenyl-2H-indazole-7-carboxylate
3-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-methyl-2-morpholinopyrimidin-4(3H)-one
N-cyclopentyl-2-(4-methyl-2-morpholino-6-oxopyrimidin-1(6H)-yl)acetamide
2-[4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
N~4~-benzyl-N~4~-methyl-1-[6-(1,4-thiazinan-4-yl)-4-pyrimidinyl]-1H-imidazole-4-carboxamide
N-[(4-methoxyphenyl)methyl]-2-[4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-1-yl]acetamide
N-(2-chloro-4-fluorobenzyl)-2-(4-methyl-2-morpholino-6-oxopyrimidin-1(6H)-yl)acetamide
2-(4-Fluorophenyl)-5-(1-(propylsulfonyl)piperidin-4-yl)-1,3,4-oxadiazole
N1-(3-chlorophenyl)indoline-1,2-dicarboxamide
6-(3-Fluorophenyl)-5-methylpyridin-3-amine

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