Bentazepam supplier | CasNO.29462-18-8

Name
Bentazepam
EINECS
CAS No. 29462-18-8
Article Data6
CAS DataBase
Density 1.38g/cm³
Solubility
Melting Point 249.5°C
Formula C17H16 N2 O S
Boiling Point 532.6°C at 760 mmHg
Molecular Weight 296.393
Flash Point 275.9°C
Transport Information
Appearance
Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SO_x and NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bentazepam;CI 718; QM 6008; Thiadipone; Tiadipone
PSA 69.70000
LogP 2.99000

Synthetic route

: 3-(imino-phenyl-methyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylamine

: 623-33-6
glycine ethyl ester hydrochloride

: 29462-18-8
bentazepam

Conditions

Conditions	Yield
With pyridine

: 43215-25-4
(E)-3-amino-3-phenyl-2-(2-thioxo-cyclohexyl)-acrylonitrile

: 623-33-6
glycine ethyl ester hydrochloride

: 29462-18-8
bentazepam

Conditions

Conditions	Yield
With pyridine

: 29462-27-9
[2-(2-bromo-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl]-phenyl-methanone

: 29462-18-8
bentazepam

Conditions

Conditions	Yield
With ammonia In methanol; diethyl ether Ambient temperature;

: 41042-86-8
glycine 3-benzoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylamide

: 29462-18-8
bentazepam

Conditions

Conditions	Yield
With acetic acid In pyridine; benzene

: 29462-18-8
bentazepam

: 40054-65-7
5-phenyl-1,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-e][1,4]diazepine-2-thione

Conditions

Conditions	Yield
With tetraphosphorus decasulfide In pyridine Heating;
With pyridine; tetraphosphorus decasulfide for 1h;

: 29462-18-8
bentazepam

: 74-88-4
methyl iodide

: 29462-23-5
1-methyl-5-phenyl-1,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-e][1,4]diazepin-2-one

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide; paraffin
(i) NaH, DMF, (ii) /BRN= 969135/; Multistep reaction;

: 29462-18-8
bentazepam

AllHal: AllHal

: 50509-63-2
1-allyl-5-phenyl-1,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-e][1,4]diazepin-2-one

Conditions

Conditions	Yield
(i) NaH, DMF, (ii) AllHal; Multistep reaction;

: 29462-18-8
bentazepam

3-halo-propyne: 3-halo-propyne

: 50509-64-3
5-phenyl-1-prop-2-ynyl-1,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-e][1,4]diazepin-2-one

Conditions

Conditions	Yield
(i) NaH, DMF, (ii) 3-halo-propyne; Multistep reaction;

: 29462-18-8
bentazepam

nBuHal: nBuHal

: 50509-65-4
1-butyl-5-phenyl-1,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-e][1,4]diazepin-2-one

Conditions

Conditions	Yield
(i) NaH, DMF, (ii) nBuHal; Multistep reaction;

: 29462-18-8
bentazepam

PhCH2Hal: PhCH2Hal

: 50509-66-5
1-benzyl-5-phenyl-1,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-e][1,4]diazepin-2-one

Conditions

Conditions	Yield
(i) NaH, DMF, (ii) PhCH2Hal; Multistep reaction;

: 29462-18-8
bentazepam

: 40054-80-6
6-phenyl-7,8,9,10-tetrahydro-4H-benzo[4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: P2S5, Py / 1 h 2: N2H4*H2O / methanol / Ambient temperature 3: H2SO4 / ethanol / 5 h / Heating View Scheme

: 29462-18-8
bentazepam

: 40054-52-2
5-phenyl-1,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-e][1,4]diazepin-2-one hydrazone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: P2S5, Py / 1 h 2: N2H4*H2O / methanol / Ambient temperature View Scheme

Bentazepam Chemical Properties

Product Name: Bentazepam (CAS NO.29462-18-8)

Molecular Formula: C₁₇H₁₆N₂OS
Molecular Weight: 296.41g/mol
Mol File: 29462-18-8.mol
Boiling point: 510.9 °C at 760 mmHg
Flash Point: 262.8 °C
Density: 1.38 g/cm³
Surface Tension: 56.9 dyne/cm
Enthalpy of Vaporization: 78.17 kJ/mol
Vapour Pressure: 1.49E-10 mmHg at 25°C
XLogP3-AA: 3.1
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Bentazepam (CAS NO.29462-18-8):
IUPAC Name: 5-phenyl-3,4,6,7,8,9-hexahydro-[1]benzothiolo[2,3-e][1,4]diazepin-2-one
Canonical SMILES: C1CCC2=C(C1)C3=C(NCC(=O)N=C3S2)C4=CC=CC=C4
InChI: InChI=1S/C17H16N2OS/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14/h1-3,6-7,18H,4-5,8-10H2
InChIKey: CXEGHCTZKNQDGO-UHFFFAOYSA-N

Bentazepam Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	129mg/kg/17W- (129mg/kg)	BEHAVIORAL: ANOREXIA (HUMAN BEHAVIORAL: MUSCLE WEAKNESS LIVER: LIVER FUNCTION TESTS IMPAIRED	Lancet. Vol. 343, Pg. 860, 1994.
mouse	LD50	intraperitoneal	630mg/kg (630mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 926, 1975.
mouse	LD50	oral	980mg/kg (980mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 926, 1975.
rat	LD50	oral	2gm/kg (2000mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 926, 1975.
women	TDLo	oral	84mg/kg/8W-I (84mg/kg)	LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED" KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION	Journal of Clinical Gastroenterology. Vol. 25, Pg. 710, 1997.

Bentazepam Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SO_x and NO_x.

Bentazepam Specification

Bentazepam ,its CAS NO. is 29462-18-8,the synonyms is 1,3,6,7,8,9-Hexahydro-5-phenyl-2H-(1)benzothieno(2,3-e)-1,4-diazepin-2-one ; 2H-(1)Benzothieno(2,3-e)-1,4-diazepin-2-one, 1,3,6,7,8,9-hexahydro-5-phenyl- ; 6,7-Tetramethylene-5-phenyl-1,2-dihydro-3H-thieno(2,3-e)(1,4)diazepin-2-one ; BRN 1083088 ; Bentazepamum ; Thiadipone ; Tiadipone ; UNII-66JKK43S1Z .

Product Name

Bentazepam

Synthetic route

Bentazepam Chemical Properties

Bentazepam Toxicity Data With Reference

Bentazepam Safety Profile

Bentazepam Specification

Related Products

Hot Products