2-MERCAPTOBENZOXAZOLE supplier

Name
2-Mercaptobenzoxazole
EINECS 219-191-9
CAS No. 2382-96-9
Article Data91
CAS DataBase
Density 1.41 g/cm³
Solubility slightly soluble in water
Melting Point 192-195 °C(lit.)
Formula C₇H₅NOS
Boiling Point 247.3 °C at 760 mmHg
Molecular Weight 151.189
Flash Point 103.4 °C
Transport Information
Appearance beige crystalline powder
Safety 22-24/25-25-24-36-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 64.83000
LogP 2.11650

Synthetic route

: 273-53-0
benzoxazole

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

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%

: 137-26-8
Thiram

: 95-55-6
2-amino-phenol

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

Conditions	Yield
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℃;

: 140-89-6
potassium ethyl xanthogenate

: 95-55-6
2-amino-phenol

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

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

: 140-92-1
potassium isopropylxanthate

: 95-55-6
2-amino-phenol

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 0.05h; Temperature; Time; Microwave irradiation;	90%

: 615-18-9
2-chloro-1,3-benzoxazole

A: 59-49-4
2-hydroxybenzoxazole

B: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

Conditions	Yield
With sodium thiosulfate In ethanol; water Heating; Title compound not separated from byproducts;	A n/a B 86%

: 95-55-6
2-amino-phenol

: 128-04-1
sodium dimethyldithiocarbamate

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

Conditions	Yield
With aluminum (III) chloride In water; N,N-dimethyl-formamide at 120℃; for 0.333333h; Temperature; Time;	83%

: 75-15-0
carbon disulfide

: 95-55-6
2-amino-phenol

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

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%

: 36993-70-1
bis(2-benzoxazolyl) disulfide

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

Conditions	Yield
With sodium citrate; titanium(III) chloride In ethanol; water; acetic acid pH 4.5 to 6.O;	76%

: 36993-70-1
bis(2-benzoxazolyl) disulfide

: (1'(R,S),3'-dihydroxy-2'(S,R)-ethylpropyl)benzene

A: 2382-96-9
2-sulfanyl-1,3-benzoxazole

B: 2-(Benzooxazol-2-ylsulfanylmethyl)-1-phenyl-butan-1-ol

Conditions

Conditions	Yield
With triphenylphosphine In tetrahydrofuran for 1h; Ambient temperature;	A n/a B 74%

...Expand

: 36993-70-1
bis(2-benzoxazolyl) disulfide

: 2,2-Dibenzyl-butane-1,3-diol

A: 2382-96-9
2-sulfanyl-1,3-benzoxazole

B: 200635-82-1
2-(Benzooxazol-2-ylsulfanylmethyl)-2-benzyl-3-phenyl-propan-1-ol

Conditions

Conditions	Yield
With triphenylphosphine In tetrahydrofuran rt., 1 h then reflux, 12 h;	A n/a B 72%

...Expand

: 36993-70-1
bis(2-benzoxazolyl) disulfide

: (1S*,2R*)-2-Ethyl-1-phenylpropan-1,3-diol

A: 22821-07-4
2-(butylthio)benzo[d]oxazole

B: 2382-96-9
2-sulfanyl-1,3-benzoxazole

C: 2-(Benzooxazol-2-ylsulfanylmethyl)-1-phenyl-butan-1-ol

Conditions

Conditions	Yield
With tributylphosphine In tetrahydrofuran for 1h; Ambient temperature;	A 10% B n/a C 65%

...Expand

: 18826-95-4, 107-88-0
1.3-butanediol

: 36993-70-1
bis(2-benzoxazolyl) disulfide

A: 2382-96-9
2-sulfanyl-1,3-benzoxazole

B: (±)-4-(1,3-benzoxazol-2-ylsulfanyl)butan-2-ol

Conditions

Conditions	Yield
With triphenylphosphine In tetrahydrofuran for 1h; Ambient temperature;	A n/a B 58%

...Expand

: 36993-70-1
bis(2-benzoxazolyl) disulfide

: 14366-91-7, 7087-77-6, 51451-31-1, 51451-32-2, 83909-75-5, 105497-76-5, 125760-89-6, 127379-92-4, 139068-60-3
syn-2-methyl-1-phenyl-1,3-propanediol

A: 22821-07-4
2-(butylthio)benzo[d]oxazole

B: 2382-96-9
2-sulfanyl-1,3-benzoxazole

C: 3-(Benzooxazol-2-ylsulfanyl)-2-methyl-1-phenyl-propan-1-ol

Conditions

Conditions	Yield
With tributylphosphine In tetrahydrofuran for 1h; Ambient temperature;	A 5% B n/a C 54%

...Expand

: 463-71-8
thiophosgene

: 95-55-6
2-amino-phenol

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

Conditions	Yield
In tetrahydrofuran at 0℃;	45%

: 4850-49-1
1-phenyl-1,3-propanediol

: 36993-70-1
bis(2-benzoxazolyl) disulfide

A: 22821-07-4
2-(butylthio)benzo[d]oxazole

B: 2382-96-9
2-sulfanyl-1,3-benzoxazole

C: 3-(Benzooxazol-2-ylsulfanyl)-1-phenyl-propan-1-ol

Conditions

Conditions	Yield
With tributylphosphine In tetrahydrofuran for 1h; Ambient temperature;	A 4% B n/a C 38%

...Expand

: 22820-99-1
2-vinylthiobenzoxazole

A: 75-07-0
acetaldehyde

B: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

Conditions	Yield
With hydrogenchloride; water In ethanol at 59.9℃; Kinetics; Rate constant; diff.temp. Eact diff.conc.of HCl;

: 63467-57-2
potassium ethyldithiocarbamate

: 95-55-6
2-amino-phenol

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

Conditions	Yield
Microwave irradiation;

: 75-15-0
carbon disulfide

: 95-55-6
2-amino-phenol

: 765-30-0
Cyclopropylamine

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

Conditions

Conditions	Yield
Stage #1: carbon disulfide; Cyclopropylamine In neat (no solvent) for 1h; Stage #2: 2-amino-phenol at 110℃; for 3h;

...Expand

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

: (1-decynyl)-[4-(trifluoromethyl)phenyl]-(tetrafluoroborato)-λ3-bromane

: 1-decynyl 2-benzoxazolyl sulfide

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 1h;	100%

: 2052-49-5
tetra(n-butyl)ammonium hydroxide

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

: 75593-47-4
tetra(n-butyl)ammonium benzoxazole-2-thiolate

Conditions

Conditions	Yield
In methanol Inert atmosphere;	100%

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

: 1-[(triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one

: 1443746-62-0
2-(((triisopropylsilyl)ethynyl)thio)benzo[d]oxazole

Conditions

Conditions	Yield
Stage #1: 2-sulfanyl-1,3-benzoxazole With N,N,N',N'-tetramethylguanidine In tetrahydrofuran at 20℃; for 0.0833333h; Stage #2: 1-[(triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one In tetrahydrofuran at 20℃; for 0.0833333h; chemoselective reaction;	100%

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

: 36993-70-1
bis(2-benzoxazolyl) disulfide

Conditions

Conditions	Yield
With dihydrogen peroxide In water; ethyl acetate at 20℃; for 0.666667h; Green chemistry;	99%
With dihydrogen peroxide In ethyl acetate at 20℃; for 0.416667h; Solvent; Time;	98%
With dihydrogen peroxide at 20℃; for 0.166667h; Reagent/catalyst;	98%

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

: C18H26FIO2*BF3

: 1-(2-benzoxazolylthio)-2-decanone

Conditions

Conditions	Yield
With triethylamine In methanol at 20℃; for 3h;	99%

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

4-(α-halogenophenylacetylamino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one: 4-(α-halogenophenylacetylamino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

: 2-(benzooxazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-phenyl-acetamide

Conditions

Conditions	Yield
In ethanol for 4h; Heating;	99%

: 99-73-0
para-bromophenacyl bromide

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

: 13944-97-3
2-(benzo[d]oxazol-2-ylthio)-1-(4-bromophenyl)ethanone

Conditions

Conditions	Yield
With zinc(II) oxide In neat (no solvent) at 25 - 30℃;	97%
Stage #1: 2-sulfanyl-1,3-benzoxazole With sodium carbonate In ethanol; water at 20℃; Stage #2: para-bromophenacyl bromide In ethanol; water at 20℃;	95%
(i) NaOMe, (ii) /BRN= 607604/; Multistep reaction;

: 98-88-4
benzoyl chloride

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

: 17688-44-7
S-(benzoxazol-2-yl) thiobenzolate

Conditions

Conditions	Yield
With potassium carbonate; 1-butyl-3-methylimidazolium Tetrafluoroborate at 50℃; for 2h;	97%
With triethylamine In tetrahydrofuran at -20℃; for 0.333333h;	90%
With triethylamine In tetrahydrofuran at 60℃; for 12h; Reagent/catalyst; Solvent; Temperature;	75%
With pyridine In tetrahydrofuran at 20℃; for 0.0833333h; Sonication;

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

A: 101094-63-7
2-(4-chlorobenzylsulfanyl)benzoxazole

B: 36993-70-1
bis(2-benzoxazolyl) disulfide

Conditions

Conditions	Yield
With tetraethylammonium bromide In acetonitrile Ambient temperature; electrooxidation;	A 97% B n/a

...Expand

: 105-39-5
chloroacetic acid ethyl ester

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

: 73824-25-6
benzoxazol-2'-yl-mercaptoacetic acid ethyl ester

Conditions

Conditions	Yield
In acetonitrile Ambient temperature; electrooxidation, supporting electrolyte Et4NBr;	97%
With tetraethylammonium bromide In acetonitrile electrolysis, Pt-cathode;	97%
With potassium carbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 50℃; for 2h;	93%

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

: 728-87-0
4,4'-Dimethoxybenzhydrol

: 1384458-40-5
2-(bis(4-methoxyphenyl)methylthio)benzo[d]oxazole

Conditions

Conditions	Yield
With N-cetyl-N-(4-sulfobutyl)pyrrolidinium trifluoromethanesulfonate In 1,2-dichloro-ethane at 20℃; for 2h; Schlenk technique;	97%
In benzene for 0.5h; Acidic conditions;

: N-(benzenesulfonyl)-N-[(trifluoromethyl)sulfanyl]benzenesulfonamide

: 2382-96-9
2-sulfanyl-1,3-benzoxazole

: 2-((trifluoromethyl)sulfinothioyl)benzo[d]oxazole

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 12h; Schlenk technique;	97%

2-MERCAPTOBENZOXAZOLE Chemical Properties

IUPAC Name: 3H-1,3-benzoxazole-2-thione
The MF of 2-MERCAPTOBENZOXAZOLE(2382-96-9): C₇H₅NOS
The MW of 2-MERCAPTOBENZOXAZOLE(2382-96-9): 151.19
EINECS: 219-191-9
mp: 192-195 °C(lit.)
Flash Point: 103.4 °C
Boiling Point: 247.3 °C at 760 mmHg
Water Solubility: SLIGHTLY SOLUBLE
Appearance: Solid. With a stench.
Index of Refraction: 1.714
Categories: Isoxazoles, Oxadiazoles, Oxazoles;Oxazole&Isoxazole
Synonyms: 1,3-Benzoxazole-2(3H)-thione;2(3H)-Benzoxazolethione;2-benzoxazolethione;2-Benzoxazolinethione;2-benzoxazolylthiol;2-Mercapto-1,3-benzoxazole;Benzoxazole, 2-mercapto-;Benzoxazolinethione
The Structure of 2-MERCAPTOBENZOXAZOLE(2382-96-9):

2-MERCAPTOBENZOXAZOLE Uses

2-MERCAPTOBENZOXAZOLE(2382-96-9) is used in the synthesis of dye, medicine and organic compounds.

2-MERCAPTOBENZOXAZOLE Toxicity Data With Reference

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 .

2-MERCAPTOBENZOXAZOLE Consensus Reports

Reported in EPA TSCA Inventory.

2-MERCAPTOBENZOXAZOLE Safety Profile

Poison by intravenous route. When heated to decomposition it emits toxic vapors of SO_x and NO_x.
Hazard Codes:

Xi
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-24/25-25-24-36-26
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
25: Avoid contact with eyes
24: Avoid contact with skin
36: Wear suitable protective clothing
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
RTECS: DM4882500
F: 13: Malodorous.
HS Code: 29349990

2-MERCAPTOBENZOXAZOLE Specification

1. First Aid Measures
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Eyes:
If symptoms develop, immediately move individual away from exposure and into fresh air. Flush eyes gently with water for at least 15 minutes while holding eyelids apart; seek immediate medical attention.
2. Handling and Storage
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.

Product Name

2-Mercaptobenzoxazole

Synthetic route

2-MERCAPTOBENZOXAZOLE Chemical Properties

2-MERCAPTOBENZOXAZOLE Uses

2-MERCAPTOBENZOXAZOLE Toxicity Data With Reference

2-MERCAPTOBENZOXAZOLE Consensus Reports

2-MERCAPTOBENZOXAZOLE Safety Profile

2-MERCAPTOBENZOXAZOLE Specification

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