2-(3,4,5-Trimethoxyphenyl)-1,3-perhydrothiazine-4-one

Modify Date: 2024-03-05 19:13:35

2-(3,4,5-Trimethoxyphenyl)-1,3-perhydrothiazine-4-one Structure
2-(3,4,5-Trimethoxyphenyl)-1,3-perhydrothiazine-4-one structure
Common Name 2-(3,4,5-Trimethoxyphenyl)-1,3-perhydrothiazine-4-one
CAS Number 82697-76-5 Molecular Weight 283.34300
Density 1.207g/cm3 Boiling Point 490.8ºC at 760 mmHg
Molecular Formula C13H17NO4S Melting Point N/A
MSDS N/A Flash Point 250.6ºC

 Names

Name 2-(3,4,5-Trimethoxyphenyl)-1,3-thiazinan-4-one

 Chemical & Physical Properties

Density 1.207g/cm3
Boiling Point 490.8ºC at 760 mmHg
Molecular Formula C13H17NO4S
Molecular Weight 283.34300
Flash Point 250.6ºC
Exact Mass 283.08800
PSA 85.58000
LogP 2.24000
Index of Refraction 1.548

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ1261813
CHEMICAL NAME :
4H-1,3-Thiazin-4-one, tetrahydro-2-(3,4,5-trimethoxyphenyl)-
CAS REGISTRY NUMBER :
82697-76-5
LAST UPDATED :
199606
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H17-N-O4-S
MOLECULAR WEIGHT :
283.37

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0050003
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0050003
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0050003

 Safety Information

HS Code 2934999090

 Synthetic Route

~77%

2-(3,4,5-Trimethoxyphenyl)-1,3-perhydrothiazine-4-one Structure

2-(3,4,5-Trimet...

CAS#:82697-76-5

Literature: Kureha Kagaku Kogyo Kabushiki Kaisha Patent: US4407799 A1, 1983 ;

~%

2-(3,4,5-Trimethoxyphenyl)-1,3-perhydrothiazine-4-one Structure

2-(3,4,5-Trimet...

CAS#:82697-76-5

Literature: Nyitrai,J. et al. Tetrahedron, 1978 , vol. 34, p. 1031 - 1035

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%