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CAS No.: | 2382-96-9 |
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Name: | 2-Mercaptobenzoxazole |
Article Data: | 91 |
Molecular Structure: | |
Formula: | C7H5NOS |
Molecular Weight: | 151.189 |
Synonyms: | 2-Benzoxazolethiol(6CI,8CI);2-Benzoxazolinethione (7CI);1,3-Benzoxazole-2(3H)-thione;1,3-Benzoxazole-2-thiol;1,3-Benzoxazoline-2-thione;2,3-Dihydrobenzoxazole-2-thione;2-Benzoxazolethione;2-Benzoxazolylthiol;2-Mercapto-1,3-benzoxazole;2(3H)-Benzoxazolethione;Benzoxazole, 2-mercapto-;Benzoxazolinethione;MBO;NSC 209084;NSC 2128; |
EINECS: | 219-191-9 |
Density: | 1.41 g/cm3 |
Melting Point: | 192-195 °C(lit.) |
Boiling Point: | 247.3 °C at 760 mmHg |
Flash Point: | 103.4 °C |
Solubility: | slightly soluble in water |
Appearance: | beige crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25-25-24-36-26 |
PSA: | 64.83000 |
LogP: | 2.11650 |
Conditions | Yield |
---|---|
With 1.3-propanedithiol; potassium hydroxide In dimethyl sulfoxide at 130℃; for 12h; Inert atmosphere; Sealed tube; | 92.6% |
With 1.3-propanedithiol; dimethyl sulfoxide; potassium hydroxide at 130℃; for 12h; Inert atmosphere; | 73% |
With sulfur; 1,10-Phenanthroline; copper dichloride; sodium t-butanolate In N,N-dimethyl-formamide at 25℃; for 12h; Schlenk technique; Inert atmosphere; | 67% |
Conditions | Yield |
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In water at 80℃; Green chemistry; | 92% |
Stage #1: 2-amino-phenol With potassium carbonate In N,N-dimethyl-formamide for 0.0833333h; Stage #2: Thiram In N,N-dimethyl-formamide at 120℃; for 12h; Reagent/catalyst; Solvent; Temperature; | 80% |
In ethanol at 100℃; for 12h; | 26% |
In water at 80℃; for 3h; | |
In water at 80℃; |
Conditions | Yield |
---|---|
Stage #1: potassium ethyl xanthogenate; 2-amino-phenol In glycerol at 155℃; for 0.116667h; Microwave irradiation; Stage #2: With acetic acid In ethanol; water; glycerol pH=3 - 4; | 91% |
Stage #1: potassium ethyl xanthogenate; 2-amino-phenol In ethanol Reflux; Stage #2: With acetic acid In water pH=5; | 52% |
In ethanol Heating; | |
In ethanol; water Heating; | |
In ethanol |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide for 0.05h; Temperature; Time; Microwave irradiation; | 90% |
Conditions | Yield |
---|---|
With sodium thiosulfate In ethanol; water Heating; Title compound not separated from byproducts; | A n/a B 86% |
Conditions | Yield |
---|---|
With aluminum (III) chloride In water; N,N-dimethyl-formamide at 120℃; for 0.333333h; Temperature; Time; | 83% |
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water at 80℃; for 3h; | 81% |
With potassium hydroxide In ethanol; water for 3h; Heating; | 78.2% |
With potassium hydroxide In ethanol for 10h; Reflux; | 77% |
bis(2-benzoxazolyl) disulfide
2-sulfanyl-1,3-benzoxazole
Conditions | Yield |
---|---|
With sodium citrate; titanium(III) chloride In ethanol; water; acetic acid pH 4.5 to 6.O; | 76% |
bis(2-benzoxazolyl) disulfide
A
2-sulfanyl-1,3-benzoxazole
Conditions | Yield |
---|---|
With triphenylphosphine In tetrahydrofuran for 1h; Ambient temperature; | A n/a B 74% |
bis(2-benzoxazolyl) disulfide
A
2-sulfanyl-1,3-benzoxazole
B
2-(Benzooxazol-2-ylsulfanylmethyl)-2-benzyl-3-phenyl-propan-1-ol
Conditions | Yield |
---|---|
With triphenylphosphine In tetrahydrofuran rt., 1 h then reflux, 12 h; | A n/a B 72% |
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1. | ivn-mus LD50:180 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04482 . |