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

Name
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
EINECS 1592732-453-0
CAS No. 3159-07-7
Article Data51
CAS DataBase
Density 1.292 g/cm³
Solubility
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
Appearance off-white powder
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 10,11-Dihydrodibenzo[b,f][1,4]thiazepin-11-one;Dibenzo[b,f][1,4]thiazepine-11(10-H)-one;NSC 653252;
PSA 54.40000
LogP 3.54150

Synthetic route

: 13739-55-4
2-phenylthiophenyl isocyanate

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

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

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

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

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%

: 4892-03-9
methyl 2-(2-nitrophenylthio)[14C]benzoate

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

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

: benzyl 2-(2-nitrophenylthio)benzoate

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

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

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

Conditions	Yield
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

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

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

: 615-43-0
2-iodophenylamine

: 4892-02-8
Methyl thiosalicylate

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
With rongalite; sodium hydroxide In dimethyl sulfoxide at 90℃; for 48h; Inert atmosphere; Schlenk technique; Sealed tube;	70%

: 1134-94-7
2-phenylsulfanyl-aniline

: 1885-14-9
phenyl chloroformate

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
With sodium carbonate In toluene	62%

: 610-97-9
o-iodo-methyl-benzoic acid

: 137-07-5
2-amino-benzenethiol

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
With copper(II) ferrite; potassium tert-butylate In N,N-dimethyl-formamide for 24h; Reflux; Inert atmosphere;	60%

: 155882-74-9
2-(2-trifluoroacetylaminophenylthio)benzoic acid

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
With trifluoroacetic anhydride In N,N-dimethyl-formamide 1.) reflux, 1 h, 2.) RT, overnight;	55%

: 19806-43-0
2‑(2‑nitrophenylsulfanyl)benzoic acid

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
With tributylphosphine at 140℃; for 48h; Schlenk technique; regioselective reaction;	51%
Multi-step reaction with 2 steps 1: ethyl acetate 2: triethylamine; benzotriazol-1-ol / dichloromethane View Scheme
Multi-step reaction with 2 steps 1: hydrogen; palladium on activated charcoal / ethyl acetate / 20 °C 2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / dichloromethane / 12 h / 20 °C View Scheme

: 2527-03-9
2-phenyl-1,2-benzisothiazolin-3-one

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
In tert-butyl alcohol for 2h; Irradiation;	31%
In tert-butyl alcohol for 1.5h; Irradiation;	31%

: 6298-19-7
2-chloro-3-aminopyridine

: 147-93-3
Thiosalicylic acid

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
In 1,2-dichloro-benzene for 0.8h; Reflux;	26%

: 2527-03-9
2-phenyl-1,2-benzisothiazolin-3-one

A: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

B: 2-phenyl-1,2-benzisothiazol-3(2H)-one 1-oxide

Conditions

Conditions	Yield
With oxygen In benzene for 2h; Product distribution; Irradiation; other solvents; without oxygen.;	A 15% B 8%
With N-chloro-succinimide; potassium hydrogencarbonate 1) CH2Cl2, 0 deg C, 20 min; 2) water, 1 h.; Yield given. Multistep reaction;

: 124-38-9
carbon dioxide

: 1134-94-7
2-phenylsulfanyl-aniline

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
With n-butyllithium 1) ether, room temperature, 30 h, 2) ether; Yield given. Multistep reaction;

: 2-(2-aminophenylthio)benzoic acid hydrochloride

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dioxane / 18 h / Ambient temperature 2: 55 percent / trifluoroacetic anhydride / dimethylformamide / 1.) reflux, 1 h, 2.) RT, overnight View Scheme

: 19602-82-5
2,2'-dithiodibenzoic acid dichloride

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2) bromine; 3) basic alumina 2: 31 percent / 2-methyl-propan-2-ol / 2 h / Irradiation View Scheme

: 62-53-3
aniline

ethane-α.β-bis-sulfonic acid chloride: ethane-α.β-bis-sulfonic acid chloride

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2) bromine; 3) basic alumina 2: 31 percent / 2-methyl-propan-2-ol / 2 h / Irradiation View Scheme

: 88-73-3
2-Chloronitrobenzene

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: methanol. sodium methylate 2: ethyl acetate; Raney nickel / Hydrogenation 3: 220 °C View Scheme
Multi-step reaction with 3 steps 1: methanol. sodium methylate 2: Raney nickel; ethanol / Hydrogenation 3: 220 °C View Scheme
Multi-step reaction with 4 steps 1: sodium hydroxide / dimethyl sulfoxide / 80 °C 2: hydrogen / methanol / 4137.29 Torr 3: sodium carbonate / tetrahydrofuran; water 4: PPA / 100 °C View Scheme

: 4892-02-8
Methyl thiosalicylate

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: methanol. sodium methylate 2: ethyl acetate; Raney nickel / Hydrogenation 3: 220 °C View Scheme
Multi-step reaction with 3 steps 1: methanol. sodium methylate 2: Raney nickel; ethanol / Hydrogenation 3: 220 °C View Scheme

: 3591-73-9
thioxanthene-9-thione

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydroxylamine 2: PCl5 / diethyl ether / Ambient temperature View Scheme

: 88-67-5
2-Iodobenzoic acid

: 137-07-5
2-amino-benzenethiol

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
With potassium hydroxide; copper In water

: 7664-93-9
sulfuric acid

: 140425-65-6
2-(2-aminophenylthio)-benzonitrile

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
With acetic acid In 5,5-dimethyl-1,3-cyclohexadiene; water
With acetic acid In 5,5-dimethyl-1,3-cyclohexadiene; water

: 4171-83-9
2-nitrophenyl phenyl sulfide

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogen / methanol / 4137.29 Torr 2: sodium carbonate 3: polyphosphoric acid / Heating View Scheme
Multi-step reaction with 3 steps 1: hydrogen / methanol / 4137.29 Torr 2: sodium carbonate / tetrahydrofuran; water 3: PPA / 100 °C View Scheme
Multi-step reaction with 2 steps 1.1: iron / ethanol / 1.5 h / Reflux; Large scale 1.2: 15 °C / pH 1 / Large scale 2.1: chloroform / 10 h / Reflux; Large scale 2.2: Polyphosphoric acid / 3 h / 120 °C / Large scale View Scheme
Multi-step reaction with 3 steps 1: iron; ammonium chloride / water 2: sodium carbonate / toluene 3: polyphosphoric acid / 8 h / 100 - 105 °C View Scheme

: 1134-94-7
2-phenylsulfanyl-aniline

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium carbonate 2: polyphosphoric acid / Heating View Scheme
Multi-step reaction with 2 steps 1: sodium carbonate / tetrahydrofuran; water 2: PPA / 100 °C View Scheme
Multi-step reaction with 2 steps 1: sodium carbonate 2: polyphosphoric acid / 80 - 90 °C View Scheme
Multi-step reaction with 2 steps 1: sodium carbonate / toluene 2: polyphosphoric acid / 8 h / 100 - 105 °C View Scheme
Multi-step reaction with 2 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 View Scheme

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 13745-86-3
11-chloro-dibenzo[b,f][1,4]thiazepine

Conditions

Conditions	Yield
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%

: 110-85-0
piperazine

: 546-68-9
titanium(IV) isopropylate

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

A: 5747-48-8
11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
at 170℃; for 5h; Heating / reflux;	A 99% B n/a

...Expand

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 1176987-11-3
C13H10N2S*ClH

Conditions

Conditions	Yield
With N,N-dimethyl-aniline; trichlorophosphate at 106℃; for 6h; Heating / reflux;	97%

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 2-[2-(1-piperazinyl)ethoxy]ethanol dihydrochloride monohydrate

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

: 11-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepine hemifumarate salt

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With N,N-dimethyl-aniline; trichlorophosphate In chlorobenzene at 15 - 100℃; for 3h; Stage #2: 2-[2-(1-piperazinyl)ethoxy]ethanol dihydrochloride monohydrate With sodium carbonate In dimethyl sulfoxide; chlorobenzene at 85 - 90℃; for 6 - 8h; Stage #3: (2E)-but-2-enedioic acid In ethyl acetate at 0 - 62℃; for 2.5h; Product distribution / selectivity;	93%

Yield

Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With N,N-dimethyl-aniline; trichlorophosphate In chlorobenzene at 15 - 100℃; for 3h;
Stage #2: 2-[2-(1-piperazinyl)ethoxy]ethanol dihydrochloride monohydrate With sodium carbonate In dimethyl sulfoxide; chlorobenzene at 85 - 90℃; for 6 - 8h;
Stage #3: (2E)-but-2-enedioic acid In ethyl acetate at 0 - 62℃; for 2.5h; Product distribution / selectivity;

93%

...Expand

: 103-76-4
1-(2-hydroxyethyl)piperazine

: 546-68-9
titanium(IV) isopropylate

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

A: 329216-67-3
O-Dealkyl Quetiapine

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
at 170℃; for 5.5h; Heating / reflux;	A 91% B n/a

...Expand

: 110-85-0
piperazine

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 753475-15-9
11-piperazin-1-yldibenzo[b,f][1,4]thiazepine hydrochloride

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With trichlorophosphate In toluene at 10℃; for 4h; Heating / reflux; Stage #2: With potassium carbonate In water; toluene at 15℃; Stage #3: piperazine With hydrogenchloride more than 3 stages;	90%

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 494-20-2
10,11-Dihydrodibenz[b,f][1,4]thiazepine

Conditions

Conditions	Yield
With tris(2,4-pentanedionato)ruthenium(III); ytterbium(III) trifluoromethanesulfonate nonohydrate; hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 150℃; under 3750.38 Torr; for 15h; Autoclave;	87%
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With hydrazine hydrate In ethylene glycol at 80℃; for 2h; Stage #2: With potassium hydroxide In water for 2h; Reflux;	74%
With lithium aluminium tetrahydride

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 16634-82-5
N-(p-tolyl)-2-chloroacetamide

: 2-(11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl)-N-(4-methylphenyl)acetamide

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide at -5 - 0℃; for 0.916667h; Stage #2: N-(p-tolyl)-2-chloroacetamide In N,N-dimethyl-formamide at -5 - 30℃;	83%

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 138681-35-3
chloro-acetic acid-(2,6-dichloro-4-nitro-anilide)

: 2-(11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl)-N-(2,6-dichloro-4-nitrophenyl)acetamide

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide at -5 - 0℃; for 0.916667h; Stage #2: chloro-acetic acid-(2,6-dichloro-4-nitro-anilide) In N,N-dimethyl-formamide at -5 - 30℃;	82%

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 2564-05-8
2-chloro-N-(3-chlorophenyl)acetamide

: 2-(11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl)-N-(3-chlorophenyl)acetamide

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide at -5 - 0℃; for 0.916667h; Stage #2: 2-chloro-N-(3-chlorophenyl)acetamide In N,N-dimethyl-formamide at -5 - 30℃;	82%

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 96-32-2
bromoacetic acid methyl ester

: 1073181-74-4
(11-oxo-11H-dibenzo[b,f][1,4]thiazepin-10-yl)acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide; mineral oil at 60℃; for 0.166667h; Inert atmosphere; Stage #2: bromoacetic acid methyl ester In N,N-dimethyl-formamide; mineral oil at 80℃; for 5h; Inert atmosphere;	79%

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 351-04-2
2-chloro-N-(4-fluorophenyl)acetamide

: 2-(11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl)-N-(4-fluorophenyl)acetamide

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide at -5 - 0℃; for 0.916667h; Stage #2: 2-chloro-N-(4-fluorophenyl)acetamide In N,N-dimethyl-formamide at -5 - 30℃;	78%

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 33560-47-3
2-chloro-N-(2,3-dichiorophenyl) acetamide

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide at -5 - 0℃; for 0.916667h; Stage #2: 2-chloro-N-(2,3-dichiorophenyl) acetamide In N,N-dimethyl-formamide at -5 - 30℃;	78%

: 2-(11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl)-N-(4-methoxyphenyl)acetamide

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide at -5 - 0℃; for 0.916667h; Stage #2: N-(4-methoxyphenyl)-2-chloroacetamide In N,N-dimethyl-formamide at -5 - 30℃;	78%

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 3289-75-6
2-chloro-N-(4-chlorophenyl)acetamide

: 2-(11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl)-N-(4-chlorophenyl)acetamide

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide at -5 - 0℃; for 0.916667h; Stage #2: 2-chloro-N-(4-chlorophenyl)acetamide In N,N-dimethyl-formamide at -5 - 30℃;	76%

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 38283-38-4
4-(2-chloroacetamido)acetophenone

: 2-(11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl)-N-(4-acetylphenyl)acetamide

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide at -5 - 0℃; for 0.916667h; Stage #2: 4-(2-chloroacetamido)acetophenone In N,N-dimethyl-formamide at -5 - 30℃;	76%

: 546-68-9
titanium(IV) isopropylate

: 13349-82-1
1-[2-(2-hydroxyethoxy)ethyl]piperazine

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

A: 67-63-0
isopropyl alcohol

B: 111974-72-2
quetiapine fumarate

Conditions

Conditions	Yield
With pentan-1-ol at 160℃; for 32h; Product distribution / selectivity; Heating / reflux;	A n/a B 75%

...Expand

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 32428-61-8
2-chloro-N-(3-methylphenyl)acetamide

: 2-(11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl)-N-(3-methylphenyl)acetamide

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide at -5 - 0℃; for 0.916667h; Stage #2: 2-chloro-N-(3-methylphenyl)acetamide In N,N-dimethyl-formamide at -5 - 30℃;	74%

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 17329-87-2
2-chloro-N-(4-nitro-phenyl)-acetamide

: 2-(11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl)-N-(4-nitrophenyl)acetamide

Conditions

Conditions	Yield
Stage #1: dibenzo[b,f][1,4]thiazepin-11-one With sodium hydride In N,N-dimethyl-formamide at -5 - 0℃; for 0.916667h; Stage #2: 2-chloro-N-(4-nitro-phenyl)-acetamide In N,N-dimethyl-formamide at -5 - 30℃;	74%

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.

Product Name

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

Synthetic route

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

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

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

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