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Cas Database |
| 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 |
|
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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With methanesulfonic acid; phosphorus pentoxide at 80 - 110℃; for 2.5h; | 96% |
| With polyphosphoric acid Heating; | 94% |
| With PPA In water | 87% |
- 54920-98-8
2-((2-aminophenyl)thio)benzoic acid
- 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 |
- 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With sodium methylate In toluene at 110℃; for 24h; Temperature; Reagent/catalyst; | 80.1% |
| With acetic acid at 135℃; | 72% |
| at 220℃; |
- 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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:
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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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