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51793-93-2

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51793-93-2 Usage

Description

7-Chloro-2-mercaptobenzoxazole, also known as 7-chloro-3H-1,3-benzoxazole-2-thione [IUPAC name], is an organic compound that can be synthesized using 6-chloro-2-aminophenol (an o-aminophenol) as a starting reagent. It is characterized by its unique chemical structure, which includes a benzoxazole ring with a chlorine atom at the 7th position and a thiol (mercapto) group at the 2nd position.

Uses

Used in Pharmaceutical Industry:
7-Chloro-2-mercaptobenzoxazole is used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows it to be a versatile building block for the development of new drugs with potential applications in treating various diseases.
Used in Chemical Synthesis:
In the field of chemical synthesis, 7-chloro-2-mercaptobenzoxazole is used as a key component in the preparation of a wide range of organic compounds. Its reactivity and functional groups make it a valuable precursor for the synthesis of various molecules with diverse applications.
Used in Material Science:
7-Chloro-2-mercaptobenzoxazole can be utilized in the development of new materials with specific properties. Its unique structure and functional groups can be exploited to create materials with enhanced performance in areas such as electronics, optics, and sensors.
Used in Research and Development:
As a novel compound, 7-chloro-2-mercaptobenzoxazole is also used in research and development to explore its potential applications and properties. Scientists and researchers can use this compound to study its reactivity, stability, and interactions with other molecules, which can lead to the discovery of new applications and uses.

Check Digit Verification of cas no

The CAS Registry Mumber 51793-93-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,7,9 and 3 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 51793-93:
(7*5)+(6*1)+(5*7)+(4*9)+(3*3)+(2*9)+(1*3)=142
142 % 10 = 2
So 51793-93-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H4ClNOS/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H,9,11)

51793-93-2 Well-known Company Product Price

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  • Aldrich

  • (538442)  7-Chloro-2-mercaptobenzoxazole  97%

  • 51793-93-2

  • 538442-5G

  • 1,406.34CNY

  • Detail

51793-93-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 7-chloro-3H-1,3-benzoxazole-2-thione

1.2 Other means of identification

Product number -
Other names 7-chloro-3-hydrobenzoxazole-2-thione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:51793-93-2 SDS

51793-93-2Synthetic route

2-amino-6-chlorophenol
38191-33-2

2-amino-6-chlorophenol

potassium ethyl xanthogenate
140-89-6

potassium ethyl xanthogenate

7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

Conditions
ConditionsYield
In ethanol Heating;
carbon disulfide
75-15-0

carbon disulfide

2-amino-6-chlorophenol
38191-33-2

2-amino-6-chlorophenol

7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

Conditions
ConditionsYield
With potassium hydroxide In ethanol Heating;
2-chloro-6-nitrophenol
603-86-1

2-chloro-6-nitrophenol

7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2 / Pt-C / ethyl acetate
2: KOH / ethanol / Heating
View Scheme
3-chloro-1-(pyrrolidin-1-yl)propan-1-one
63177-38-8

3-chloro-1-(pyrrolidin-1-yl)propan-1-one

7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

3-((7-chlorobenzo[d]oxazol-2-yl)thio)-1-(pyrrolidin-1-yl)propan-1-one

3-((7-chlorobenzo[d]oxazol-2-yl)thio)-1-(pyrrolidin-1-yl)propan-1-one

Conditions
ConditionsYield
With caesium carbonate In acetonitrile at 100℃; for 1h; Microwave irradiation;42%
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

2,7-Dichloro-benzooxazole
86691-34-1

2,7-Dichloro-benzooxazole

Conditions
ConditionsYield
With phosphorus pentachloride In benzene for 2h; Heating;
With phosphorus pentachloride; trichlorophosphate at 100℃;
1-methyl-piperazine
109-01-3

1-methyl-piperazine

7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

ClC7H3NOC4H8N2CH3

ClC7H3NOC4H8N2CH3

Conditions
ConditionsYield
In toluene Heating;
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-propionic acid methyl ester

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-propionic acid methyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: POCl3; PCl5 / 100 °C
2: DIEA / dimethylformamide / 0 - 20 °C
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-propionic acid
884313-94-4

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-propionic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: POCl3; PCl5 / 100 °C
2: DIEA / dimethylformamide / 0 - 20 °C
3: aq. LiOH / dioxane
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

2-(7-chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(4-fluoro-phenylamino)-ethyl]-propionamide

2-(7-chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(4-fluoro-phenylamino)-ethyl]-propionamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: POCl3; PCl5 / 100 °C
2: DIEA / dimethylformamide / 0 - 20 °C
3: aq. LiOH / dioxane
4: DIEA; HATU / CH2Cl2
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(4-methoxy-phenylamino)-1-methyl-ethyl]-propionamide

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(4-methoxy-phenylamino)-1-methyl-ethyl]-propionamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: POCl3; PCl5 / 100 °C
2: DIEA / dimethylformamide / 0 - 20 °C
3: aq. LiOH / dioxane
4: HATU; DIEA / CH2Cl2
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(4-methanesulfonyl-phenylamino)-1-methyl-ethyl]-propionamide

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(4-methanesulfonyl-phenylamino)-1-methyl-ethyl]-propionamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: POCl3; PCl5 / 100 °C
2: DIEA / dimethylformamide / 0 - 20 °C
3: aq. LiOH / dioxane
4: HATU; DIEA / CH2Cl2
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(3-methanesulfonyl-phenylamino)-1-methyl-ethyl]-propionamide

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(3-methanesulfonyl-phenylamino)-1-methyl-ethyl]-propionamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: POCl3; PCl5 / 100 °C
2: DIEA / dimethylformamide / 0 - 20 °C
3: aq. LiOH / dioxane
4: HATU; DIEA / CH2Cl2
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(5-fluoro-3,3-dimethyl-2,3-dihydro-indol-1-yl)-1-methyl-ethyl]-propionamide

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(5-fluoro-3,3-dimethyl-2,3-dihydro-indol-1-yl)-1-methyl-ethyl]-propionamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: POCl3; PCl5 / 100 °C
2: DIEA / dimethylformamide / 0 - 20 °C
3: aq. LiOH / dioxane
4: HATU; DIEA / CH2Cl2
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-methyl-ethyl]-propionamide

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-methyl-ethyl]-propionamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: POCl3; PCl5 / 100 °C
2: DIEA / dimethylformamide / 0 - 20 °C
3: aq. LiOH / dioxane
4: HATU; DIEA / CH2Cl2
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(5-fluoro-2,2-dimethyl-2,3-dihydro-indol-1-yl)-1-methyl-ethyl]-propionamide

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(5-fluoro-2,2-dimethyl-2,3-dihydro-indol-1-yl)-1-methyl-ethyl]-propionamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: POCl3; PCl5 / 100 °C
2: DIEA / dimethylformamide / 0 - 20 °C
3: aq. LiOH / dioxane
4: HATU; DIEA / CH2Cl2
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(5-fluoro-2-oxo-2,3-dihydro-indol-1-yl)-1-methyl-ethyl]-propionamide

(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-N-[(S)-2-(5-fluoro-2-oxo-2,3-dihydro-indol-1-yl)-1-methyl-ethyl]-propionamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: POCl3; PCl5 / 100 °C
2: DIEA / dimethylformamide / 0 - 20 °C
3: aq. LiOH / dioxane
4: 77 percent / HATU; DIEA / CH2Cl2
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

7-chloro-2-hydrazinobenzoxazole
114997-89-6

7-chloro-2-hydrazinobenzoxazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: phosphorus pentachloride / benzene / 2 h / Heating
2: hydrazine hydrate / dioxane / 0.5 h / Ambient temperature
View Scheme
7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

3-[1-(7-chloro-2-benzoxazolyl)hydrazino]propanenitrile
86691-35-2

3-[1-(7-chloro-2-benzoxazolyl)hydrazino]propanenitrile

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: phosphorus pentachloride / benzene / 2 h / Heating
2: hydrazine hydrate / dioxane / 0.5 h / Ambient temperature
3: 50percent methanolic choline / tetrahydrofuran / 1.) 40 deg C, 15 min, 2.) 65 deg C, 5 h
View Scheme
acrylonitrile
107-13-1

acrylonitrile

7-chlorobenzo[d]oxazole-2-thiol
51793-93-2

7-chlorobenzo[d]oxazole-2-thiol

3-[1-(7-chloro-2-benzoxazolyl)hydrazino]propanenitrile
86691-35-2

3-[1-(7-chloro-2-benzoxazolyl)hydrazino]propanenitrile

Conditions
ConditionsYield
With phosphorus pentachloride

51793-93-2Relevant articles and documents

ANTIBIOTIC COMPOUNDS

-

Page/Page column 67; 68; 81; 83, (2018/03/25)

The present invention relates to antibiotic compounds of formula (I), to compositions containing these compounds and to methods of treating bacterial diseases and infections using the compounds. The compounds find application in the treatment of infection with, and diseases caused by, Gram-positive and/or Gram-negative bacteria, and in particular in the treatment of infection with, and diseases caused by, Neisseria gonorrhoeae.

Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3

Tully, David C.,Liu, Hong,Alper, Phil B.,Chatterjee, Arnab K.,Epple, Robert,Roberts, Michael J.,Williams, Jennifer A.,Nguyen, Khanhlinh T.,Woodmansee, David H.,Tumanut, Christine,Li, Jun,Spraggon, Glen,Chang, Jonathan,Tuntland, Tove,Harris, Jennifer L.,Karanewsky, Donald S.

, p. 1975 - 1980 (2007/10/03)

A series of Nα-2-benzoxazolyl-α-amino acid-(arylaminoethyl)amides were identified as potent, selective, and noncovalent inhibitors of cathepsin S. Structure-activity relationships including strategies for modulating the selectivities among cathepsins S, K, and L, and in vivo pharmacokinetics are discussed. A X-ray structure of compound 3 bound to the active site of cathepsin S is also reported.

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