4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione

Modify Date: 2024-04-02 09:58:01

4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione Structure
4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione structure
 Common Name 4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
CAS Number 137332-54-8 Molecular Weight 320.88000
Density 1.25g/cm3 Boiling Point 446.1ºC at 760 mmHg
Molecular Formula C17H21ClN2S Melting Point N/A
MSDS N/A Flash Point 223.6ºC

 Names

Name Tivirapine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.25g/cm3
Boiling Point 446.1ºC at 760 mmHg
Molecular Formula C17H21ClN2S
Molecular Weight 320.88000
Flash Point 223.6ºC
Exact Mass 320.11100
PSA 56.62000
LogP 5.14310
Vapour Pressure 3.73E-08mmHg at 25°C
Index of Refraction 1.642

 Synthetic Route

Chloroform structure

Chloroform

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(S)-6-chloro-2,3,4,5-tetrahydro-3-methyl-4-(3-methyl-2-butenyl)-1H-1,4-benzodiazepin-9-amine structure

(S)-6-chloro-2,...

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~90%

4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione Structure

4,5,6,7-Tetrahy...

CAS#:137332-54-8

Literature: Janssen Pharmaceutica N.V. Patent: US5463049 A1, 1995 ;
N/A structure

N/A

CAS#:137332-58-2

~%

4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione Structure

4,5,6,7-Tetrahy...

CAS#:137332-54-8

Literature: Ho; Kukla; Breslin; Ludovici; Grous; Diamond; Miranda; Rodgers; De Clercq; Pauwels; Andries; Janssen Journal of Medicinal Chemistry, 1995 , vol. 38, # 5 p. 794 - 802
2,6-DICHLORO-3-NITROBENZOIC ACID structure

2,6-DICHLORO-3-...

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4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione Structure

4,5,6,7-Tetrahy...

CAS#:137332-54-8

Literature: Parker, Kathlyn A.; Coburn, Craig A. Journal of Organic Chemistry, 1992 , vol. 57, # 1 p. 97 - 100
(S)-6-chloro-2,3,4,5-tetrahydro-3-methyl-4-(3-methyl-2-butenyl)-1H-1,4-benzodiazepin-9-amine structure

(S)-6-chloro-2,...

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N,N'-Thiocarbonyldiimidazole structure

N,N'-Thiocarbon...

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~54%

4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione Structure

4,5,6,7-Tetrahy...

CAS#:137332-54-8

Literature: Ho; Kukla; Breslin; Ludovici; Grous; Diamond; Miranda; Rodgers; De Clercq; Pauwels; Andries; Janssen Journal of Medicinal Chemistry, 1995 , vol. 38, # 5 p. 794 - 802
2,6-Dichloro-3-nitrobenzaldehyde structure

2,6-Dichloro-3-...

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~%

4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione Structure

4,5,6,7-Tetrahy...

CAS#:137332-54-8

Literature: Ho; Kukla; Breslin; Ludovici; Grous; Diamond; Miranda; Rodgers; De Clercq; Pauwels; Andries; Janssen Journal of Medicinal Chemistry, 1995 , vol. 38, # 5 p. 794 - 802
2-[(2,6-dichloro-3-nitrobenzyl)amino]propionamide structure

2-[(2,6-dichlor...

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~%

4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione Structure

4,5,6,7-Tetrahy...

CAS#:137332-54-8

Literature: Ho; Kukla; Breslin; Ludovici; Grous; Diamond; Miranda; Rodgers; De Clercq; Pauwels; Andries; Janssen Journal of Medicinal Chemistry, 1995 , vol. 38, # 5 p. 794 - 802
3,3-Dimethylallyl bromide structure

3,3-Dimethylall...

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~%

4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione Structure

4,5,6,7-Tetrahy...

CAS#:137332-54-8

Literature: Ho; Kukla; Breslin; Ludovici; Grous; Diamond; Miranda; Rodgers; De Clercq; Pauwels; Andries; Janssen Journal of Medicinal Chemistry, 1995 , vol. 38, # 5 p. 794 - 802
Carbon disulphide structure

Carbon disulphide

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(S)-6-chloro-2,3,4,5-tetrahydro-3-methyl-4-(3-methyl-2-butenyl)-1H-1,4-benzodiazepin-9-amine structure

(S)-6-chloro-2,...

CAS#:149976-82-9

~%

4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione Structure

4,5,6,7-Tetrahy...

CAS#:137332-54-8

Literature: Parker, Kathlyn A.; Coburn, Craig A. Journal of Organic Chemistry, 1992 , vol. 57, # 1 p. 97 - 100

 Synonyms

8-Chloro-TIBO
5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE
8-ClTIBO
1uwb
(+)-(S)-8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
(+)-(S)-4,5,6,7-Tetrahydro-8-chloro-5-methyl-6-(3-methyl-2-butenyl)imidazo<4,5,1-jk><1,4>benzodiazepine-2(1H)-thione
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4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione price

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Chemsrc provides CAS#:137332-54-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione>> amp version: 4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione

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