3-Chloropropanesulfonyl chloride

Base Information

• Chemical Name: 3-Chloropropanesulfonyl chloride
• CAS No.: 1633-82-5
• Molecular Formula: C3H6Cl2O2S
• Molecular Weight: 177.051
• Hs Code.: 29049090
• European Community (EC) Number: 216-646-3
• NSC Number: 93777
• UNII: 26KZB8ERS7
• DSSTox Substance ID: DTXSID30167559
• Nikkaji Number: J195.262E
• Wikidata: Q72457930
• Mol file: 1633-82-5.mol

Synonyms:3-Chloropropanesulfonyl chloride;1633-82-5;3-chloropropane-1-sulfonyl chloride;1-Propanesulfonyl chloride, 3-chloro-;3-Chloropropanesulfonylchloride;3-Chloro-1-propanesulfonyl chloride;3-Chloropropanesulphonyl chloride;3-Chloropropylsulfonyl chloride;PROPANESULFONYL CHLORIDE, CHLORO-;C3H6Cl2O2S;3-CHLORO-PROPANE-1-SULFONYL CHLORIDE;gamma-Chloropropanesulfonyl chloride;EINECS 216-646-3;NSC 93777;TL 136;BRN 1754119;26KZB8ERS7;3-CHLOROPROPANE SULFONYL CHLORIDE;MFCD00007463;NSC-93777;3-chloropropylsulfonylchloride;UNII-26KZB8ERS7;chloropropylsulfonyl chloride;Chloropropanesulfonyl chloride;SCHEMBL68201;3-chloropropanesulfonyl choride;3-chloropropylsulphonyl chloride;C3-H6-Cl2-O2-S;3-chloro-propylsulfonyl chloride;3-chloro-propanesulfonyl chloride;DTXSID30167559;3-chloro-propane sulfonyl chloride;3-chloropropane-1-sulfonylchloride;3-Chloro-1-propylsulfonyl chloride;3-chloro-n-propanesulfonyl chloride;BCP22287;NSC93777;1-Chloro-3-propanesulfonyl chloride;3-chloro-1-propanesulphonyl chloride;3-chloropropanesulfonic acid chloride;BBL027644;STL370327;.gamma.-Chloropropanesulfonyl chloride;3-chloropropanesulphonic acid chloride;AKOS000121347;3-Chloropropanesulfonyl chloride, 98%;FS-4388;3-chloro-1-propanesulfonic acid chloride;LS-120971;AM20080454;FT-0600440;FT-0602809;1-Propanesulfonyl chloride, 3-chloro- (8CI);EN300-21154;A24442;(2E)-3-(2,5-Dimethoxyphenyl)-2-propenoicacid;W-107954;F0001-0587;chloro-propanesulfonylchlorid;gamma-chloropropanesulfonylchloride

Chemical Property of 3-Chloropropanesulfonyl chloride

Chemical Property:

• Appearance/Colour: clear colorless to light brown liquid
• Refractive Index: n20/D 1.489(lit.)
• Boiling Point: 262.1 °C at 760 mmHg
• Flash Point: 92.3 °C
• PSA: 42.52000
• Density: 1.452 g/cm³
• LogP: 2.26470
• Storage Temp.: 2-8°C
• Sensitive.: Lachrymatory
• Solubility.: Soluble in dichloromethane, ethyl Acetate and hexane.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 175.9465560
• Heavy Atom Count: 8
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

3-Chloropropanesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C(CS(=O)(=O)Cl)CCl
• Uses: Generation and trapping of the derived sulfene with imines and glyoxylates in the presence of chinchona alkaloids provide chiral sultams1 and sultones.2 3-Chloropropanesulfonyl chloride is an intermediate used in the preparation of many enzymatic inhibitors 3-Chloropropanesulfonyl Chloride is an intermediate used in the preparation of many enzymatic inhibitors. It is also used in the generation and trapping of the derived sulfene with imines and glyoxylates in the presence of chinchona alkaloids provide chiral sultams and sultones. It is mainly used for the synthesis of pharmaceutical intermediates.

Technology Process of 3-Chloropropanesulfonyl chloride

There total 15 articles about 3-Chloropropanesulfonyl 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: 94.0%

1,3-propanesultone (1120-71-4) → 3-chloro-n-propanesulfonyl chloride (1633-82-5)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; Heating;

DOI:10.1021/ja00389a038

Reference yield: 68.0%

→ 3-chloro-n-propanesulfonyl chloride (1633-82-5)

Guidance literature:

Reference yield: 24.0%

3-sulfanylpropanol (19721-22-3) → 1,3-propanesultone (1120-71-4) + 3-chloro-n-propanesulfonyl chloride (1633-82-5)

Guidance literature:

With chlorine; In water; at 0 ℃; for 0.166667h;

upstream raw materials:

trimethylene sulphide

1-Chloropropane

3-sulfanylpropanol

sodium 3-hydroxypropanesulphonate

Downstream raw materials:

3-chloro-propane-1-sulfonic acid 3-acetylamino-anilide

1-[2-(1,1-dioxo-1λ⁶-isothiazolidin-2-yl)-ethyl]-4-(3-trifluoromethyl-phenyl)-piperazine

3-chloro-propane-1-sulfonic acid dimethylamide

1-(3-chloro-propane-1-sulfonyl)-3-(3,5-dichloro-phenyl)-imidazolidine-2,4-dione

Refernces

• 1、 Stewart,Burnside. "-". . p. 243. Retrieved 1953.
• 2、 -. "Green synthesis method of 3-chloropropyl sulfonyl chloride". Paragraph 0019; 0024. . Retrieved 2019/03/29.
• 3、 -. "Quinolinoxy phenylsulphonamides". . . Retrieved 2008/06/13.