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10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine

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Name

10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine

EINECS 1592732-453-0
CAS No. 3159-07-7 Density 1.292 g/cm3
PSA 54.40000 LogP 3.54150
Solubility N/A Melting Point 265 °C
Formula C13H9NOS Boiling Point 309.2 °C at 760 mmHg
Molecular Weight 227.287 Flash Point 140.8 °C
Transport Information N/A Appearance off-white powder
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3159-07-7 (10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine) Hazard Symbols N/A
Synonyms

10,11-Dihydrodibenzo[b,f][1,4]thiazepin-11-one;Dibenzo[b,f][1,4]thiazepine-11(10-H)-one;NSC 653252;

Article Data 51

10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Synthetic route

13739-55-4

2-phenylthiophenyl isocyanate

3159-07-7

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

Conditions
ConditionsYield
aluminum (III) chloride In 1,2-dichloro-benzene at 100 - 150℃; for 4h;100%
111974-73-3

phenyl [2-(phenylsulphanyl)phenyl]carbamate

3159-07-7

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

Conditions
ConditionsYield
With methanesulfonic acid; phosphorus pentoxide at 80 - 110℃; for 2.5h;96%
With polyphosphoric acid Heating;94%
With PPA In water87%
54920-98-8

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

3159-07-7

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

Conditions
ConditionsYield
With PPA at 140℃; for 2h;95%
toluene-4-sulfonic acid In ethyl acetate; xylene at 125℃; for 10h;86%
With phosphorus pentoxide; xylene
32315-10-9

bis(trichloromethyl) carbonate

6764-13-2

2-aminodiphenyl sulfide hydrochloride

3159-07-7

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

Conditions
ConditionsYield
Stage #1: bis(trichloromethyl) carbonate; 2-aminodiphenyl sulfide hydrochloride In chloroform for 10h; Reflux; Large scale;
Stage #2: With toluene-4-sulfonic acid In chloroform at 120℃; for 3h; Large scale;
93.7%
4892-03-9

methyl 2-(2-nitrophenylthio)[14C]benzoate

3159-07-7

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

Conditions
ConditionsYield
With acetic acid; zinc Reagent/catalyst; Reflux;93.4%
Stage #1: methyl 2-(2-nitrophenylthio)[14C]benzoate With tin(II) chloride dihdyrate In ethanol
Stage #2: With trimethylaluminum In dichloromethane at 45 - 100℃;
40%
Multi-step reaction with 2 steps
1: ethyl acetate; Raney nickel / Hydrogenation
2: 220 °C
View Scheme
Multi-step reaction with 2 steps
1: Raney nickel; ethanol / Hydrogenation
2: 220 °C
View Scheme
Multi-step reaction with 2 steps
1.1: iron(III) chloride; pyrographite / 0.5 h / 65 °C
1.2: 12 h / 65 °C
2.1: sodium methylate / toluene / 24 h / 110 °C
View Scheme

benzyl 2-(2-nitrophenylthio)benzoate

3159-07-7

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

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 1500.15 Torr; Reagent/catalyst;85.4%
20169-45-3

9H-thioxanthen-9-one oxime

3159-07-7

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

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene Reagent/catalyst; Solvent; Reflux;81.5%
With phosphorus pentachloride In diethyl ether Ambient temperature;
100866-62-4

2-(2-nitrophenylthio)benzoic acid methyl ester

3159-07-7

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

Conditions
ConditionsYield
With sodium methylate In toluene at 110℃; for 24h; Temperature; Reagent/catalyst;80.1%
With acetic acid at 135℃;72%
at 220℃;

2-(2-aminophenylthio)benzoic acid ethyl ester

3159-07-7

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

Conditions
ConditionsYield
With sodium methylate In toluene at 110℃; for 24h;79.6%
201230-82-2

carbon monoxide

63107-77-7

(2-aminophenyl)-2’-bromophenyl sulfide

3159-07-7

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

Conditions
ConditionsYield
With dmap; bis(dibenzylideneacetone)-palladium(0); catacxium A In toluene at 100℃; for 18h; Sealed tube;76%

10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Chemical Properties

Molecular structure of 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine (CAS NO.3159-07-7) is:

Product Name: 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
CAS Registry Number: 3159-07-7
Empirical Formula: C13H9NOS
Molecular Weight: 227.2817
Melting Point: 265 °C
Surface Tension: 51.1 dyne/cm
Density: 1.292 g/cm3
Flash Point: 140.8 °C
Enthalpy of Vaporization: 55 kJ/mol
Boiling Point: 309.2 °C at 760 mmHg
Vapour Pressure: 0.000647 mmHg at 25°C
Storage temp.: Refrigerator
Product Categories: Pharmaceutical Intermediates;API intermediates;(intermediate of quetiapine fumarate);Intermediates of Quetiapine;Heterocycles

10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Safety Profile

Safty information about 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine (CAS NO.3159-07-7) is:
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Specification

 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine , its cas register number is 3159-07-7. It also can be called 10,11-Dihydro-11-oxodibenz[b,f][1,4]thiazepine ; 11-Oxo-10,11-dihydro-Dibenzo[b,f][1,4]thiazepine ; Dibenzo[b,f][1,4]thiazepine-11(10-H)-one .It is a off-white powder.

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