N-isopropyl-2-benzothiazolesulfenamide
Diethyl phosphonate
A
diethyl N-isopropylphosphoramidate
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 91% B 100% |
N-isopropyl-2-benzothiazolesulfenamide
diisopropyl phosphite
A
diisopropyl N-isopropylphosphoramidate
B
Thiophosphoric acid S-benzothiazol-2-yl ester O,O'-diisopropyl ester
C
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 72% B 17% C 100% |
N-piperidin-2-benzothiazole sulfenamide
Diethyl phosphonate
A
O,O-diethyl piperidinophosphate diester
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 93% B 100% |
N-piperidin-2-benzothiazole sulfenamide
diisopropyl phosphite
A
diisopropyl piperidinophosphonate
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 82% B 100% |
diisopropyl phosphite
4-(benzothiazole-2-sulfenyl)-morpholine
A
2-Mercaptobenzothiazole
B
diisopropyl morpholinophosphonate
Conditions | Yield |
---|---|
A 100% B 96% |
Diethyl phosphonate
N-(cyclohexyl)benzothiazole-2-sulfenamide
A
diethyl cyclohexylphosphoramidate
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 83% B 100% |
diisopropyl phosphite
N-(cyclohexyl)benzothiazole-2-sulfenamide
A
diisopropyl N-cyclohexylphosphoramidate
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 87% B 100% |
methyl phosphite
N-(phenylmethyl)-2-benzothiazolesulfenamide
A
(Benzylamido)phosphorsaeure-dimethylester
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 82% B 100% |
Diethyl phosphonate
N-(phenylmethyl)-2-benzothiazolesulfenamide
A
diethyl N-benzylphosphoramidate
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 80% B 100% |
diisopropyl phosphite
N-(phenylmethyl)-2-benzothiazolesulfenamide
A
diisopropyl benzylphosphoramidate
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 90% B 100% |
Diethyl phosphonate
N,N-diethylbenzo[d]thiazole-2-sulfenamide
A
diethyl-amidophosphoric acid diethyl ester
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 80% B 100% |
N-propyl-2-benzothiazolesulfenamide
Diethyl phosphonate
A
propyl-amidophosphoric acid diethyl ester
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 94% B 99% |
S-benzothiazol-2-yl-N,N-dibutyl-thiohydroxylamine
Diethyl phosphonate
A
diethyl dibutylphosphoramidate
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 60% B 98% |
methyl phosphite
4-(benzothiazole-2-sulfenyl)-morpholine
A
N,N-oxydiethylene-O,O-dimethylphosphoramidate
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 81% B 98% |
Diethyl phosphonate
4-(benzothiazole-2-sulfenyl)-morpholine
A
Diethyl 4-morpholidophosphate
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 98% B 96% |
Conditions | Yield |
---|---|
With iron(III) trifluoride; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In N,N-dimethyl-formamide at 110℃; for 5h; Inert atmosphere; Sealed tube; | 98% |
With copper(l) chloride In N,N-dimethyl-formamide at 110℃; for 6h; Inert atmosphere; Sealed tube; | 91.2% |
Conditions | Yield |
---|---|
With sulfur at 200℃; for 3.66667h; Time; | 97.8% |
With 1.3-propanedithiol; dimethyl sulfoxide; potassium hydroxide at 130℃; for 12h; Reagent/catalyst; Temperature; Time; Inert atmosphere; | 92% |
With sodium hydroxide In water | 91.4% |
With 1.3-propanedithiol; potassium hydroxide In dimethyl sulfoxide at 130℃; for 12h; Inert atmosphere; Sealed tube; | 83.3% |
With sulfur; 1,10-Phenanthroline; copper dichloride; sodium t-butanolate In N,N-dimethyl-formamide at 25℃; for 12h; Catalytic behavior; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere; | 82% |
Conditions | Yield |
---|---|
With iron(III) trifluoride; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In N,N-dimethyl-formamide at 110℃; for 6h; Catalytic behavior; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube; | 97% |
With copper(l) chloride In N,N-dimethyl-formamide at 110℃; for 6h; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube; | 82.3% |
Conditions | Yield |
---|---|
With sodium hydrogen sulfide In water at 80℃; for 9h; Reagent/catalyst; Solvent; Temperature; Green chemistry; | 96% |
at 230℃; Yield given; |
N-propyl-2-benzothiazolesulfenamide
methyl phosphite
A
2-methylmercaptobenzothiazole
B
N-Propyl-O,O-dimethyl-phosphorsaeureamid
C
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 5% B 80% C 95% | |
A 5% B 80% C 90% |
Benzoylmethyl-tri-n-butyl-phosphonium-bromid
benzaldehyde
A
2-Mercaptobenzothiazole
B
3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
Conditions | Yield |
---|---|
With sodium 2-mercaptobenzothiazole In ethanol for 0.333333h; Ambient temperature; | A 90% B 95% |
Conditions | Yield |
---|---|
In water at 120℃; Catalytic behavior; Temperature; Solvent; Green chemistry; | 95% |
In water at 120℃; for 3h; | |
In water at 120℃; |
2-(phenacylsulfanyl)-1,3-benzothiazole
4-methoxy-benzaldehyde
A
2-Mercaptobenzothiazole
B
3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
Conditions | Yield |
---|---|
With tributylphosphine at 80℃; for 8h; Product distribution; different aldehydes or ketone and reaction times; | A 90% B 94% |
With tributylphosphine at 80℃; for 8h; | A 90% B 94% |
potassium ethyl xanthogenate
2-amino-benzenethiol
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
Stage #1: potassium ethyl xanthogenate; 2-amino-benzenethiol In glycerol at 140℃; for 0.15h; Microwave irradiation; Stage #2: With acetic acid In ethanol; water; glycerol pH=3 - 4; | 94% |
carbon disulfide
2-Aminophenyl disulfide
A
sulfur
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
With sodium hydrogensulfide In water at 80℃; for 10h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Autoclave; Green chemistry; | A 73% B 94% |
2-amino-benzenethiol
sodium dimethyldithiocarbamate
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
With aluminum (III) chloride In water; N,N-dimethyl-formamide at 120℃; for 0.166667h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; | 94% |
methyl phosphite
N-piperidin-2-benzothiazole sulfenamide
A
2-methylmercaptobenzothiazole
B
Dimethyl piperididophosphate
C
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 7% B 93% C 93% |
p-nitrobenzyl (2R,3R)-2-(benzothiazol-2'-yldithio)-α-isopropylidene-4-oxo-3-phenoxyacetylaminoazetidine-1-acetate
ethyl 3-oxo-4-(triphenylphosphoranylidene)butanoate
A
2-Mercaptobenzothiazole
B
p-nitrobenzyl (2R,3R)-2-<(ethoxycarbonylmethylcarbonyl)(triphenylphosphoranylidene)methylthio>-α-isopropylidene-4-oxo-3-phenoxyacetylaminoazetidine acetate
Conditions | Yield |
---|---|
In tetrahydrofuran for 2h; Ambient temperature; | A 90% B 93% |
diisopropyl phosphite
N,N-diethylbenzo[d]thiazole-2-sulfenamide
A
diisopropyl-N,N-diethylphosphoramidite
B
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
A 89% B 93% |
Conditions | Yield |
---|---|
With bis(2,2'-bipyridyl) copper(II) permanganate In dichloromethane for 0.166667h; | 100% |
With tris paraperiodate In benzene for 0.5h; Heating; | 100% |
With dihydrogen peroxide In water | 100% |
ethyl iodide
2-Mercaptobenzothiazole
2-(ethylthio)benzothiazole
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 6h; | 100% |
With N-ethyl-N,N-diisopropylamine In acetone at 20℃; for 0.333333h; Sonication; | 90% |
With potassium hydroxide In 1,4-dioxane at 70℃; for 1.5h; | 58% |
ethyl bromoacetate
2-Mercaptobenzothiazole
ethyl 2-(benzo[d]thiazol-2-ylthio)acetate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 14h; Inert atmosphere; | 100% |
With potassium carbonate In acetone for 3h; Heating; | 95% |
With potassium carbonate In acetonitrile at 20℃; for 3h; Inert atmosphere; | 74% |
3-Bromopropionic acid
2-Mercaptobenzothiazole
3-(benzothiazol-2-ylthio)propionic acid
Conditions | Yield |
---|---|
Stage #1: 2-Mercaptobenzothiazole With potassium carbonate In tetrahydrofuran for 0.166667h; Inert atmosphere; Stage #2: 3-Bromopropionic acid In tetrahydrofuran at 20℃; Inert atmosphere; | 100% |
With potassium hydroxide In ethanol for 3h; Heating; | 83% |
2,2,2-trifluoroacetyl isocyanate
2-Mercaptobenzothiazole
Conditions | Yield |
---|---|
In dichloromethane | 100% |
Conditions | Yield |
---|---|
In toluene at 110℃; for 4h; | 100% |
2-Mercaptobenzothiazole
2,2-dimethyl-2,3-dihydrobenzothiophene N-(p-toluenesulfonyl)sulfilimine
2-(2-benzothiazolyl)thiomethyl-2-methyl-2,3-dihydrobenzothiophene
Conditions | Yield |
---|---|
In toluene for 1h; Heating; | 100% |
2-Mercaptobenzothiazole
(2S,5R,6S)-3,3-Dimethyl-4,7-dioxo-6-(2-oxo-propyl)-6-phenylsulfanyl-4λ4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid 2,2-dimethyl-propionyloxymethyl ester
2-[(2R,3S)-2-(Benzothiazol-2-yldisulfanyl)-4-oxo-3-(2-oxo-propyl)-3-phenylsulfanyl-azetidin-1-yl]-3-methyl-but-3-enoic acid 2,2-dimethyl-propionyloxymethyl ester
Conditions | Yield |
---|---|
In toluene Heating; | 100% |
1,3-dibromobutane
2-Mercaptobenzothiazole
2-(3-Bromo-butylsulfanyl)-benzothiazole
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol | 100% |
2-Mercaptobenzothiazole
(R)-1-bromo-3-(tert-butyldiphenylsilyloxy)-2-methylpropane
2-[(R)-3-(tert-Butyl-diphenyl-silanyloxy)-2-methyl-propylsulfanyl]-benzothiazole
Conditions | Yield |
---|---|
Stage #1: 2-Mercaptobenzothiazole With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; Stage #2: (R)-1-bromo-3-(tert-butyldiphenylsilyloxy)-2-methylpropane In N,N-dimethyl-formamide at 20℃; for 12h; | 100% |
With sodium hydride In N,N-dimethyl-formamide at 25℃; |
2-Mercaptobenzothiazole
(2S,4S,5R,6R)-6-Allyloxycarbonylamino-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester
(R)-2-[(2R,3R)-3-Allyloxycarbonylamino-2-(benzothiazol-2-yldisulfanyl)-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoic acid benzyl ester
Conditions | Yield |
---|---|
In toluene Heating; | 100% |
2-Mercaptobenzothiazole
(2S,4S,5R,6R)-6-Allyloxycarbonylamino-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester
(R)-benzhydryl 2-((2R,3R)-3-(allyloxycarbonyl)amino-2-(benzo[d]thiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl)-3-methylbut-3-enoate
Conditions | Yield |
---|---|
In toluene Heating; | 100% |
In toluene Heating; |
(2E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenylhex-2-en-1-ol
2-Mercaptobenzothiazole
2-<<(2E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenylhex-2-enyl>thio>benzothiazole
Conditions | Yield |
---|---|
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at -10℃; for 1h; | 100% |
2-Mercaptobenzothiazole
(2S,5R,6R)-6-(tert-Butyl-dimethyl-silanyloxymethyl)-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester
Conditions | Yield |
---|---|
In toluene | 100% |
Conditions | Yield |
---|---|
at 60℃; for 12h; Solid phase reaction; substitution; | 100% |
Conditions | Yield |
---|---|
With triethylamine In methanol at 20℃; for 3h; | 100% |
2-Mercaptobenzothiazole
2-{(2R,6S)-6-[(2S,4R,5S)-2-Benzyloxy-4-(tert-butyl-dimethyl-silanyloxy)-6-hydroxy-5-methyl-hexyl]-tetrahydro-pyran-2-yl}-2-methyl-propionic acid 2-trimethylsilanyl-ethyl ester
2-{(2R,6S)-6-[(2S,4R,5R)-6-(Benzothiazol-2-ylsulfanyl)-2-benzyloxy-4-(tert-butyl-dimethyl-silanyloxy)-5-methyl-hexyl]-tetrahydro-pyran-2-yl}-2-methyl-propionic acid 2-trimethylsilanyl-ethyl ester
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0℃; for 1h; | 100% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0℃; |
methyl 2-[(diphenylphosphino)oxy]-2-methylpropionate
2-Mercaptobenzothiazole
methyl 2-[(1,3-benzothiazol-2-yl)sulfanyl]-2-methylpropionate
Conditions | Yield |
---|---|
With 2,6-Di-tert-butyl-1,4-benzoquinone In chloroform at 20℃; for 12h; Product distribution; Further Variations:; Reagents; | 100% |
With Camphorquinone In dichloromethane at 20℃; for 12h; Inert atmosphere; |
Conditions | Yield |
---|---|
With ethyl 2-(3,4-dichlorophenyl)azocarboxylate; triphenylphosphine In toluene at 20℃; for 5h; Mitsunobu Displacement; Inert atmosphere; | 100% |
With Vilsmeier reagent; triethylamine In tetrahydrofuran at 20℃; for 16h; | 90% |
With (phthalocyaninato)iron(II); ethyl 2-(4-cyanophenyl)hydrazinecarboxylate; triphenylphosphine In toluene at 20℃; for 24h; Mitsunobu Displacement; Molecular sieve; Green chemistry; | 89% |
With fluorosulfonyl fluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 20℃; for 0.166667h; | 81% |
IUPAC Name: 3H-1,3-Benzothiazole-2-thione
Synonyms: 1,3-Benzothiazol-2-thiol ; 1,3-Benzothiazole-2(3H)-thione ; 1,3-Benzothiazole-2-thiol ; 2-Benzothiazolethiol ; Bantex
Product Categories: Rubber Chemicals;Industrial/Fine Chemicals;BENZOTHIAZOLE;Sulfur compounds;Sulphur Derivatives;Organics;Copper corrosion inhibitor
CAS NO: 149-30-4
Molecular Formula of 2-Mercaptobenzothiazole (CAS NO.149-30-4) : C7H5NS2
Molecular Weight of 2-Mercaptobenzothiazole (CAS NO.149-30-4) : 167.25
Molecular Structure of 2-Mercaptobenzothiazole (CAS NO.149-30-4) :
EINECS: 205-736-8
Mol File: 149-30-4.mol
Merck : 14,5868
BRN : 119484
Index of Refraction: 1.783
Surface Tension: 78 dyne/cm
Density: 1.46 g/cm3
Flash Point: 138.3 °C
Enthalpy of Vaporization: 54.54 kJ/mol
Boiling Point: 305 °C at 760 mmHg
Vapour Pressure: 0.000844 mmHg at 25°C
Melting point: 177-181 °C(lit.)
Water Solubility : <0.1 g/100 mL at 19 ºC
Sensitive : Air Sensitive
Stability: Stable. Incompatible with strong oxidizing agents. Flammable.
beige or light yellow powder with a faint odour
Solubility: not soluble in water and gasoline, insoluble in ethanol, ethyl ether, acetone, ethyl acetate, benzene, chloroform and dilute lye.
Preparation Products: Inhibitor-->2,2'-Dithiobis(benzothiazole)-->Benzothiazole-->corrosion inhibitor PBTCA-type-->N,N-Dicyclohexyl-2-benzothiazolsulfene amide-->N-Cyclohexyl-2-benzothiazolesulfenamide -->2-(Morpholinothio)benzothiazole-->N-tert-Butyl-2-benzothiazolesulfenamide -->2-Chlorobenzothiazole-->N-methylbenzothiazol-2-amine-->scale inhibitor and sipersant TS-104-->scale agent QⅠ-105-->Accelerator DBM
Raw materials : Sodium hydroxide-->Sulfuric acid -->Chlorine-->Sulfur-->Aniline-->Carbon disulphide-->Sulphur-->2-Nitrochlorobenzene-->Sodium hydrosulfide-->SODIUM TETRASULFIDE-->2-Aminobenzenethiol-->THIAZOLIDINE-->Fatty amine-->1,3-Diphenyl-2-thiourea-->Sodium mercaptobenzothiazole
Hazard Codes Xi,N
Risk Statements 43-50/53
R43:May cause sensitization by skin contact.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements 24-37-60-61
S24:Avoid contact with skin.
S37:Wear suitable gloves.
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR UN 3077 9/PG 3
WGK Germany 2
RTECS DL6475000
F 9-13-23
HS Code 29342020
1.General Description: Pale yellow to tan crystalline powder with a disagreeable odor.
2.Air & Water Reactions: Insoluble in water.
3.Reactivity Profile :2-Mercaptobenzothiazole is incompatible with strong oxidizing agents. Also incompatible with acids and acid fumes .
4.Fire Hazard: 2-Mercaptobenzothiazole is combustible.
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