Product Name

  • Name

    BENZP-DINITRIDE-THIO-KETONE

  • EINECS
  • CAS No. 4547-02-8
  • Article Data19
  • CAS DataBase
  • Density 1.32 g/cm3
  • Solubility
  • Melting Point 248-250 °C
  • Formula C15H11ClN2S
  • Boiling Point 408.9 °C at 760 mmHg
  • Molecular Weight 286.785
  • Flash Point 201.1 °C
  • Transport Information
  • Appearance light yellow crystal
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 4547-02-8 (BENZP-DINITRIDE-THIO-KETONE)
  • Hazard Symbols
  • Synonyms Benzp-dinitride-thio-ketone;2H-1,4-Benzodiazepine-2-thione, 7-chloro-1,3-dihydro-5-phenyl-;
  • PSA 56.48000
  • LogP 3.50390

Synthetic route

desmethyldiazepam
1088-11-5

desmethyldiazepam

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

Conditions
ConditionsYield
With n-butyllithium; tetraphosphorus decasulfide In tetrahydrofuran; hexane for 16h; Heating;87%
With tetraphosphorus decasulfide In pyridine Heating; 1.) 30 min. reflux, 2.) 1 h;67%
With tetraphosphorus decasulfide; sodium hydrogencarbonate In acetonitrile for 24h; Heating;
With Lawessons reagent In 1,2-dimethoxyethane at 75℃;
With tetraphosphorus decasulfide; triethylamine In toluene at 75℃; for 8h; Solvent; Temperature; Inert atmosphere;175 g
2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
2898-08-0

2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

Conditions
ConditionsYield
Stage #1: 2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one With aluminum (III) chloride; chlorine In dichloromethane at 10 - 20℃;
Stage #2: With sodiumsulfide nonahydrate; tetrabutylammomium bromide; dihydrogen peroxide for 2h; Reflux;		78.7%
di-morpholin-4-yl-phosphinic acid 7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl ester
59318-11-5

di-morpholin-4-yl-phosphinic acid 7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl ester

triethylimine

triethylimine

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

Conditions
ConditionsYield
In tetrahydrofuran
2-Amino-5-chlorobenzophenone
719-59-5

2-Amino-5-chlorobenzophenone

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: cyclohexane / 4 h / 60 - 81 °C
2: hexamethylenetetramine; ammonium bicarbonate / ethanol / 6 h / 40 - 50 °C
3: triethylamine; tetraphosphorus decasulfide / toluene / 8 h / 75 °C / Inert atmosphere
View Scheme
(2-Aminomethyl-[1,3]dioxolan-2-yl)-methanol
45649-48-7

(2-Aminomethyl-[1,3]dioxolan-2-yl)-methanol

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

{2-[(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-methyl]-[1,3]dioxolan-2-yl}-methanol
59820-66-5

{2-[(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-methyl]-[1,3]dioxolan-2-yl}-methanol

Conditions
ConditionsYield
In ethanol at 100℃; for 3h;90%
N-Methylhydroxylamine
593-77-1

N-Methylhydroxylamine

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

N-(7-Chlor-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N-methylhydroxylamin
77175-99-6

N-(7-Chlor-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N-methylhydroxylamin

Conditions
ConditionsYield
In methanol for 1.5h; Heating;87%
(3-azidoacetonyl)amine, ethylene ketal
57963-29-8

(3-azidoacetonyl)amine, ethylene ketal

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

(2-azidomethyl-[1,3]dioxolan-2-ylmethyl)-(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-amine
57963-28-7

(2-azidomethyl-[1,3]dioxolan-2-ylmethyl)-(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-amine

Conditions
ConditionsYield
In ethanol87%
In ethanol; water
2-(methanesulfonamido)propionhydrazide
117267-37-5

2-(methanesulfonamido)propionhydrazide

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

N-[1-(8-Chloro-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-yl)-ethyl]-methanesulfonamide
124938-99-4

N-[1-(8-Chloro-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-yl)-ethyl]-methanesulfonamide

Conditions
ConditionsYield
Heating;84%
7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

ethylhydrazine carboxylate
4114-31-2

ethylhydrazine carboxylate

3-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)carbazic acid ethyl ester
31262-81-4

3-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)carbazic acid ethyl ester

Conditions
ConditionsYield
In ethanol for 24h; Heating;77%
glycine
56-40-6

glycine

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

N-(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-glycine
61197-97-5

N-(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-glycine

Conditions
ConditionsYield
With sodium carbonate In ethanol; water77%
7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

4-methyl-1-piperazinylacetic acid hydrazide
24632-44-8

4-methyl-1-piperazinylacetic acid hydrazide

8-chloro-1-(4-methyl-piperazin-1-ylmethyl)-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine
40070-25-5

8-chloro-1-(4-methyl-piperazin-1-ylmethyl)-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine

Conditions
ConditionsYield
In butan-1-ol for 4h; Heating;72%
ethyl(methylthio)acetic hydrazide
74085-88-4

ethyl(methylthio)acetic hydrazide

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

8-Chloro-1-methylsulfanylmethyl-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene
85677-78-7

8-Chloro-1-methylsulfanylmethyl-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene

Conditions
ConditionsYield
In butan-1-ol Heating;65%
2-[2-(2-Aminomethyl-[1,3]dioxolan-2-yl)-ethyl]-isoindole-1,3-dione
63200-67-9

2-[2-(2-Aminomethyl-[1,3]dioxolan-2-yl)-ethyl]-isoindole-1,3-dione

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

A

2-{2-[2-(7-Chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-ethyl]-[1,3]dioxolan-2-ylmethyl}-isoindole-1,3-dione
76879-47-5

2-{2-[2-(7-Chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-ethyl]-[1,3]dioxolan-2-ylmethyl}-isoindole-1,3-dione

B

N-(2-{2-[(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-methyl]-[1,3]dioxolan-2-yl}-ethyl)-phthalimide
63200-73-7

N-(2-{2-[(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-methyl]-[1,3]dioxolan-2-yl}-ethyl)-phthalimide

Conditions
ConditionsYield
In ethanol at 60℃;A 36%
B 65%
In ethanol at 60℃; overnight;A 36%
B 58%
...Expand
2-(ethanesulfonamido)propionhydrazide
117267-38-6

2-(ethanesulfonamido)propionhydrazide

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

Ethanesulfonic acid [1-(8-chloro-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-yl)-ethyl]-amide
124939-02-2

Ethanesulfonic acid [1-(8-chloro-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-yl)-ethyl]-amide

Conditions
ConditionsYield
Heating;63%
(ethanesulfonamido)acethydrazide
117267-36-4

(ethanesulfonamido)acethydrazide

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

Ethanesulfonic acid (8-chloro-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-ylmethyl)-amide
117267-42-2

Ethanesulfonic acid (8-chloro-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-ylmethyl)-amide

Conditions
ConditionsYield
Heating;61%
4-hydroxy-but-2-ynamine
63200-68-0

4-hydroxy-but-2-ynamine

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

4-(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-but-2-yn-1-ol
63200-69-1

4-(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-but-2-yn-1-ol

Conditions
ConditionsYield
In tetrahydrofuran Ambient temperature;57%
(methanesulfonamido)acethydrazide
117267-35-3

(methanesulfonamido)acethydrazide

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

N-(8-Chloro-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-ylmethyl)-methanesulfonamide
117267-39-7

N-(8-Chloro-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-ylmethyl)-methanesulfonamide

Conditions
ConditionsYield
Heating;57%
N-<<2-(aminomethyl)-1,3-dioxolan-2-yl>methyl>phthalimide
57963-14-1

N-<<2-(aminomethyl)-1,3-dioxolan-2-yl>methyl>phthalimide

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

A

C21H16N2O6
76879-39-5

C21H16N2O6

B

N-<<2-<<7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl>amino>methyl>-1,3-dioxolan-2-yl>methylphthalimide
57963-16-3

N-<<2-<<7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl>amino>methyl>-1,3-dioxolan-2-yl>methylphthalimide

Conditions
ConditionsYield
In ethanol at 60℃; for 18h;A 1.9 g
B 52.8%
...Expand
N-benzyl hydroxylalmine
622-30-0

N-benzyl hydroxylalmine

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

N-Benzyl-N-(7-chlor-5-phenyl-3H-1,4-benzodiazepin-2-yl)-hydroxylamin
77176-00-2

N-Benzyl-N-(7-chlor-5-phenyl-3H-1,4-benzodiazepin-2-yl)-hydroxylamin

Conditions
ConditionsYield
In methanol for 1.5h; Heating;48%
aqueous potassium hydroxide

aqueous potassium hydroxide

1-chloro-2-(4-methyl-1-piperazinyl)ethane dihydrochloride
5753-26-4, 92333-85-2, 126055-32-1

1-chloro-2-(4-methyl-1-piperazinyl)ethane dihydrochloride

(2E)-but-2-enedioic acid
110-17-8

(2E)-but-2-enedioic acid

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

2-[2-(4-methyl-1-piperazinyl)ethylthio]-5-phenyl-7-chloro-3H-1,4-benzodiazepine difumarate

2-[2-(4-methyl-1-piperazinyl)ethylthio]-5-phenyl-7-chloro-3H-1,4-benzodiazepine difumarate

Conditions
ConditionsYield
In tetrahydrofuran; ethanol42%
...Expand
5-methyl-1H-imidazole-4-carboxylic acid hydrazide
71704-67-1

5-methyl-1H-imidazole-4-carboxylic acid hydrazide

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

8-chloro-1-(5-methyl-4-imidazolyl)-6-phenyl-4H-s-triazolo<4,3-a>-1,4-benzodiazepine
117267-50-2

8-chloro-1-(5-methyl-4-imidazolyl)-6-phenyl-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

Conditions
ConditionsYield
In butan-1-ol for 8h; Heating;38%
3-ethyl-2-methylsulfanyl-benzothiazolium; toluene-4-sulfonate
50716-34-2

3-ethyl-2-methylsulfanyl-benzothiazolium; toluene-4-sulfonate

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

7-chloro-3-(3-ethyl-3H-benzothiazol-2-ylidene)-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepine-2-thione
35579-60-3

7-chloro-3-(3-ethyl-3H-benzothiazol-2-ylidene)-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepine-2-thione

Conditions
ConditionsYield
With triethylamine In ethanol
(2-chloroethyl)dimethylamine hydrochloride
4584-46-7

(2-chloroethyl)dimethylamine hydrochloride

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

2-(2-dimethylaminoethylthio)-5-phenyl-7-chloro-3H-1,4-benzodiazepine
67974-46-3

2-(2-dimethylaminoethylthio)-5-phenyl-7-chloro-3H-1,4-benzodiazepine

Conditions
ConditionsYield
With potassium hydroxide In tetrahydrofuran; water for 1.5h; Ambient temperature; Yield given;
C-(2-Dimethylaminomethyl-[1,3]dioxolan-2-yl)-methylamine
76879-44-2

C-(2-Dimethylaminomethyl-[1,3]dioxolan-2-yl)-methylamine

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

7-chloro-5-phenyl-2-[[3-(dimethylamino)acetonyl]amino]-3H-1,4-benzodiazepine, ethylene ketal
57963-30-1

7-chloro-5-phenyl-2-[[3-(dimethylamino)acetonyl]amino]-3H-1,4-benzodiazepine, ethylene ketal

Conditions
ConditionsYield
In butan-1-ol at 60℃; for 0.5h;
2-[2-(2-Aminomethyl-[1,3]dioxolan-2-yl)-ethyl]-isoindole-1,3-dione
63200-67-9

2-[2-(2-Aminomethyl-[1,3]dioxolan-2-yl)-ethyl]-isoindole-1,3-dione

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

A

2-[4-(7-Chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-2-oxo-butyl]-isoindole-1,3-dione
76879-48-6

2-[4-(7-Chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-2-oxo-butyl]-isoindole-1,3-dione

B

2-[4-(7-Chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-3-oxo-butyl]-isoindole-1,3-dione
76900-22-6

2-[4-(7-Chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamino)-3-oxo-butyl]-isoindole-1,3-dione

C

N-[2-(8-chloro-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepin-1-yl)-ethyl]-phthalimide
63232-06-4

N-[2-(8-chloro-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepin-1-yl)-ethyl]-phthalimide

Conditions
ConditionsYield
With sulfuric acid 1.) EtOH, 60 deg C, 2.) RT; Yield given. Multistep reaction. Yields of byproduct given;
With sulfuric acid 1.) EtOH, 60 deg C 2.) RT; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
...Expand
methylamine
74-89-5

methylamine

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

(7-chloro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-ylidene)-methyl-amine
4393-72-0

(7-chloro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-ylidene)-methyl-amine

Conditions
ConditionsYield
In water; acetonitrile at 20℃; for 3h;
7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione
4547-02-8

7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

7-chloro-2-(N-nitrosomethylamino)-5-phenyl-3H-1,4-benzodiazepine
819793-73-2

7-chloro-2-(N-nitrosomethylamino)-5-phenyl-3H-1,4-benzodiazepine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: acetonitrile; H2O / 3 h / 20 °C
2: 0.55 g / sodium nitrite; AcOH / 3 h / 20 °C
View Scheme

7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione Specification

The IUPAC name of Benzp-dinitride-thio-ketone is 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione. With the CAS registry number 4547-02-8, it is also named as 2H-1,4-Benzodiazepine-2-thione, 7-chloro-1,3-dihydro-5-phenyl-. Besides, it is light yellow crystal. In addition, its molecular formula is C15H11ClN2S and molecular weight is 286.78.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 439.02; (6)ACD/BCF (pH 7.4): 437.02; (7)ACD/KOC (pH 5.5): 2710.71; (8)ACD/KOC (pH 7.4): 2698.35; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 1; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 82.06 cm3; (14)Molar Volume: 215.9 cm3; (15)Surface Tension: 47.2 dyne/cm; (16)Density: 1.32 g/cm3; (17)Flash Point: 201.1 °C; (18)Melting Point: 248-250 °C; (19)Enthalpy of Vaporization: 66.09 kJ/mol; (20)Boiling Point: 408.9 °C at 760 mmHg; (21)Vapour Pressure: 6.79E-07 mmHg at 25 °C.

Preparation of Benzp-dinitride-thio-ketone: you can put 5-Chloro-2-[(chloroacetyl)amino]benzophenone to react with Hexamethylenetetramine under alkaline condition. And you would get 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-ketone. Then put it to react with Phosphorus pentasulfide under the protection of nitrogen. And you will get the product.

Uses of Benzp-dinitride-thio-ketone: this chemical is used as intermediate of hypnotics Alprazolam. Moreover, it can react with N-Methyl-hydroxylamine to get N-(7-Chlor-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N-methylhydroxylamin.



This reaction needs Methanol by heating for 1.5 hours. The yield is 87 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc3cc\1c(NC(=S)C/N=C/1c2ccccc2)cc3
(2)InChI:InChI=1/C15H11ClN2S/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
(3)InChIKey:ULILTJWAJZIROM-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C15H11ClN2S/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
(5)Std. InChIKey:ULILTJWAJZIROM-UHFFFAOYSA-N

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