1,2-Benzoxazol-3-ylmethanesulfonyl chloride

Base Information

• Chemical Name: 1,2-Benzoxazol-3-ylmethanesulfonyl chloride
• CAS No.: 73101-65-2
• Molecular Formula: C8H6ClNO3S
• Molecular Weight: 231.66
• European Community (EC) Number: 826-933-0
• DSSTox Substance ID: DTXSID70464413
• Nikkaji Number: J195.978F
• Wikidata: Q82289715
• Mol file: 73101-65-2.mol

Synonyms:73101-65-2;1,2-benzoxazol-3-ylmethanesulfonyl chloride;BENZO[D]ISOXAZOL-3-YL-METHANESULFONYL CHLORIDE;1,2-Benzisoxazole-3-methanesulfonyl chloride;Benzo[d]isoxazol-3-ylmethanesulfonyl Chloride;Benzo[d]isoxazol-3-yl-methanesulfonyl Chloride, technical grade;(1,2-Benzoxazol-3-yl)methanesulfonyl chloride;1,2-Benzisoxazole-3-methanesulfonylchloride;SCHEMBL3143718;DTXSID70464413;ZREYTLWEJMYKRX-UHFFFAOYSA-N;AKOS006221402;FT-0662572;FT-0662573;EN300-129808;A914150;F1967-1622

Chemical Property of 1,2-Benzoxazol-3-ylmethanesulfonyl chloride

Chemical Property:

• Appearance/Colour: tan sticky solid
• Vapor Pressure: 4.12E-06mmHg at 25°C
• Refractive Index: 1.631
• Boiling Point: 395.7 °C at 760 mmHg
• Flash Point: 193.1 °C
• PSA: 68.55000
• Density: 1.562 g/cm³
• LogP: 2.97720
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Acetone (Slightly), Chloroform (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 230.9756919
• Heavy Atom Count: 14
• Complexity: 300

Purity/Quality:

98%Min ^*data from raw suppliers

Benzo[d]isoxazol-3-yl-methanesulfonylChloride,TechnicalGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)Cl
• Uses: Contains approximately 12% dichloromethane and 8% ethyl acetate

Technology Process of 1,2-Benzoxazol-3-ylmethanesulfonyl chloride

There total 4 articles about 1,2-Benzoxazol-3-ylmethanesulfonyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.9%

1,2-benzisoxazole-3-methanesulfonic acid sodium salt (73101-64-1) → 1,2-benzoxazol-3-ylmethanesulfonyl chloride (73101-65-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 25 - 50 ℃; for 6h;

Reference yield: 80.9%

1,2-benzisoxazole-3-methanesulfonic acid ammonium salt (81534-20-5) → 1,2-benzoxazol-3-ylmethanesulfonyl chloride (73101-65-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 25 - 50 ℃; for 5.5h;

Reference yield:

1,2-benzisoxazole-3-methane-sulfonic acid → 1,2-benzoxazol-3-ylmethanesulfonyl chloride (73101-65-2)

Guidance literature:

With trichlorophosphate; In toluene; at 100 - 105 ℃; for 2.5h;

upstream raw materials:

1,2-benzisoxazole-3-methanesulfonic acid sodium salt

trichlorophosphate

1,2-benzisoxazole-3-methanesulfonic acid ammonium salt

Downstream raw materials:

1-(benzo[d]isoxazol-3-yl-methanesulfonyl)-4-benzyl-piperazine

1,2-benzisoxazole-3-methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-hydroxymethanesulfonamide

2-[(benzo[d]isoxazol-3-yl-methanesulfonyl)-amino]-benzoic acid methyl ester

Refernces

• 1、 -. "PURE 1,2-BENZISOXAZOLE-3-METHANE-SULFONIC ACID SODIUM SALT AND PURIFICATION PROCESS". Page/Page column 13. . Retrieved 2008/06/13.
• 2、 -. "1,2-BENZISOXAZOLE-3-METHANE-SULFONIC ACID AMMONIUM SALT". Page/Page column 15-16. . Retrieved 2008/06/13.