Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

11-Chloro-dibenzo[b,f][1,4]thiazepine

Related Products

Hot Products

Name

11-Chloro-dibenzo[b,f][1,4]thiazepine

EINECS N/A
CAS No. 13745-86-3 Density 1.329 g/cm3
PSA 37.66000 LogP 3.90390
Solubility N/A Melting Point N/A
Formula C13H8ClNS Boiling Point 384.595 °C at 760 mmHg
Molecular Weight 245.732 Flash Point 186.397 °C
Transport Information N/A Appearance Pale-Yellow Solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13745-86-3 (11-Chloro-dibenzo[b,f][1,4]thiazepine) Hazard Symbols N/A
Synonyms

11-Chlordibenzo[b,f][1,4]thiazepin;

Article Data 43

11-Chloro-dibenzo[b,f][1,4]thiazepine Synthetic route

3159-07-7

dibenzo[b,f][1,4]thiazepin-11-one

13745-86-3

11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions
ConditionsYield
With trichlorophosphate In toluene at 100℃; for 12h; Inert atmosphere;99%
With N,N-dimethyl-aniline; trichlorophosphate at 106℃; for 6h; Heating / reflux;97%
With N,N-dimethyl-aniline; trichlorophosphate at 106℃; for 6h; Heating / reflux;97%
54920-98-8

2-((2-aminophenyl)thio)benzoic acid

13745-86-3

11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions
ConditionsYield
With trichlorophosphate for 5 - 6h; Product distribution / selectivity; Heating / reflux;
With triethylamine; trichlorophosphate In toluene for 5 - 6h; Product distribution / selectivity; Heating / reflux;
With trichlorophosphate In toluene for 5 - 6h; Product distribution / selectivity; Heating / reflux;
3159-07-7

dibenzo[b,f][1,4]thiazepin-11-one

dibenzo[b,f][1,4]thiazepine(10H)one

dibenzo[b,f][1,4]thiazepine(10H)one

13745-86-3

11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions
ConditionsYield
With phosphorus pentachloride; nitrogen In dichloromethane
With phosphorus pentachloride; nitrogen In dichloromethane; toluene
111974-73-3

phenyl [2-(phenylsulphanyl)phenyl]carbamate

13745-86-3

11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: polyphosphoric acid / Heating
2: N,N-dimethyl-aniline; trichlorophosphate / 105 °C
View Scheme
Multi-step reaction with 2 steps
1: PPA / 100 °C
2: trichlorophosphate / N,N-dimethyl-aniline; dichloromethane
View Scheme
Multi-step reaction with 2 steps
1: polyphosphoric acid / 8 h / 100 - 105 °C
2: N,N-dimethyl-aniline; trichlorophosphate / toluene
View Scheme
Multi-step reaction with 2 steps
1: methanesulfonic acid; phosphorus pentoxide / 2.5 h / 80 - 110 °C
2: trichlorophosphate; N,N-dimethyl-aniline / 3 h / 120 °C
View Scheme
4171-83-9

2-nitrophenyl phenyl sulfide

13745-86-3

11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: hydrogen / methanol / 4137.29 Torr
2: sodium carbonate
3: polyphosphoric acid / Heating
4: N,N-dimethyl-aniline; trichlorophosphate / 105 °C
View Scheme
Multi-step reaction with 4 steps
1: hydrogen / methanol / 4137.29 Torr
2: sodium carbonate / tetrahydrofuran; water
3: PPA / 100 °C
4: trichlorophosphate / N,N-dimethyl-aniline; dichloromethane
View Scheme
Multi-step reaction with 4 steps
1: iron; ammonium chloride / water
2: sodium carbonate / toluene
3: polyphosphoric acid / 8 h / 100 - 105 °C
4: N,N-dimethyl-aniline; trichlorophosphate / toluene
View Scheme
1134-94-7

2-phenylsulfanyl-aniline

13745-86-3

11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium carbonate
2: polyphosphoric acid / Heating
3: N,N-dimethyl-aniline; trichlorophosphate / 105 °C
View Scheme
Multi-step reaction with 3 steps
1: sodium carbonate / tetrahydrofuran; water
2: PPA / 100 °C
3: trichlorophosphate / N,N-dimethyl-aniline; dichloromethane
View Scheme
Multi-step reaction with 3 steps
1: sodium carbonate / toluene
2: polyphosphoric acid / 8 h / 100 - 105 °C
3: N,N-dimethyl-aniline; trichlorophosphate / toluene
View Scheme
Multi-step reaction with 3 steps
1.1: toluene / 0.08 h / 4 °C
1.2: 1.5 h / 4 °C
2.1: methanesulfonic acid; phosphorus pentoxide / 2.5 h / 80 - 110 °C
3.1: trichlorophosphate; N,N-dimethyl-aniline / 3 h / 120 °C
View Scheme
108-98-5

thiophenol

13745-86-3

11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: sodium hydroxide / dimethyl sulfoxide / 80 °C
2: hydrogen / methanol / 4137.29 Torr
3: sodium carbonate / tetrahydrofuran; water
4: PPA / 100 °C
5: trichlorophosphate / N,N-dimethyl-aniline; dichloromethane
View Scheme
Multi-step reaction with 5 steps
1: copper; sodium hydroxide / tetralin / 6 h / 130 °C
2: sulfuric acid / toluene / 1 h / 0 - 80 °C
3: hydroxylamine hydrochloride / ethanol / 3 h / Reflux
4: toluene-4-sulfonic acid / toluene / Reflux
5: trichlorophosphate / 4 h / Reflux
View Scheme
Multi-step reaction with 5 steps
1: sodium hydroxide / methanol
2: iron; ammonium chloride / water
3: sodium carbonate / toluene
4: polyphosphoric acid / 8 h / 100 - 105 °C
5: N,N-dimethyl-aniline; trichlorophosphate / toluene
View Scheme
88-73-3

2-Chloronitrobenzene

13745-86-3

11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: sodium hydroxide / dimethyl sulfoxide / 80 °C
2: hydrogen / methanol / 4137.29 Torr
3: sodium carbonate / tetrahydrofuran; water
4: PPA / 100 °C
5: trichlorophosphate / N,N-dimethyl-aniline; dichloromethane
View Scheme
Multi-step reaction with 5 steps
1: sodium hydroxide / methanol
2: iron; ammonium chloride / water
3: sodium carbonate / toluene
4: polyphosphoric acid / 8 h / 100 - 105 °C
5: N,N-dimethyl-aniline; trichlorophosphate / toluene
View Scheme
147-93-3

Thiosalicylic acid

13745-86-3

11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: potassium hydroxide / water; isopropyl alcohol
2: ethyl acetate
3: triethylamine; benzotriazol-1-ol / dichloromethane
4: trichlorophosphate
View Scheme
Multi-step reaction with 4 steps
1: potassium hydroxide / water; isopropyl alcohol / 20 °C
2: hydrogen; palladium on activated charcoal / ethyl acetate / 20 °C
3: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / dichloromethane / 12 h / 20 °C
4: trichlorophosphate / 2 h / Reflux
View Scheme
Multi-step reaction with 4 steps
1: potassium hydroxide / isopropyl alcohol; water / 20 °C
2: hydrogen; palladium on activated charcoal / ethyl acetate / 20 °C
3: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 12 h / 20 °C
4: trichlorophosphate / 2 h / Reflux
View Scheme
1493-27-2

ortho-nitrofluorobenzene

13745-86-3

11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: potassium hydroxide / water; isopropyl alcohol
2: ethyl acetate
3: triethylamine; benzotriazol-1-ol / dichloromethane
4: trichlorophosphate
View Scheme
Multi-step reaction with 4 steps
1: potassium hydroxide / water; isopropyl alcohol / 20 °C
2: hydrogen; palladium on activated charcoal / ethyl acetate / 20 °C
3: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / dichloromethane / 12 h / 20 °C
4: trichlorophosphate / 2 h / Reflux
View Scheme
Multi-step reaction with 4 steps
1: potassium hydroxide / isopropyl alcohol; water / 20 °C
2: hydrogen; palladium on activated charcoal / ethyl acetate / 20 °C
3: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 12 h / 20 °C
4: trichlorophosphate / 2 h / Reflux
View Scheme

11-Chloro-dibenzo[b,f][1,4]thiazepine Specification

The CAS register number of Dibenzo[b,f][1,4]thiazepine,11-chloro- is 13745-86-3. It also can be called as 11-Chlordibenzo[b,f][1,4]thiazepin and the systematic name about this chemical is 11-chlorodibenzo[b,f][1,4]thiazepine. The molecular formula about this chemical is C13H8ClNS and the molecular weight is 245.73. It belongs to the following product categories, such as Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals and so on. This chemical can be used as a metabolite of quetiapine.

Physical properties about Dibenzo[b,f][1,4]thiazepine,11-chloro- are: (1)ACD/LogP: 4.05; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 778; (5)ACD/BCF (pH 7.4): 778; (6)ACD/KOC (pH 5.5): 4083; (7)ACD/KOC (pH 7.4): 4083; (8)#H bond acceptors: 1; (9)Polar Surface Area: 37.66Å2; (10)Index of Refraction: 1.685; (11)Molar Refractivity: 70.274 cm3; (12)Molar Volume: 184.867 cm3; (13)Polarizability: 27.859x10-24cm3; (14)Surface Tension: 49.354 dyne/cm; (15)Enthalpy of Vaporization: 60.85 kJ/mol; (16)Boiling Point: 384.595 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C2=N/c3c(Sc1ccccc12)cccc3
(2)InChI: InChI=1/C13H8ClNS/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H
(3)InChIKey: ZFOZNNFYECYUQB-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H8ClNS/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H
(5)Std. InChIKey: ZFOZNNFYECYUQB-UHFFFAOYSA-N

Please post your buying leads,so that our qualified suppliers will soon contact you!
*Required Fields