Thiophene-3-sulfonyl Chloride

Base Information

• Chemical Name: Thiophene-3-sulfonyl Chloride
• CAS No.: 51175-71-4
• Molecular Formula: C4H3ClO2S2
• Molecular Weight: 182.652
• Hs Code.: 2934999090
• European Community (EC) Number: 692-218-3
• DSSTox Substance ID: DTXSID70380028
• Wikidata: Q72508880
• Mol file: 51175-71-4.mol

Synonyms:Thiophene-3-sulfonyl Chloride;51175-71-4;3-THIOPHENESULFONYL CHLORIDE;3-ThiophenesulfonylChloride;Thiophene-3-sulphonyl chloride;THIOPHENE-3-SULFONYLCHLORIDE;3-(Chlorosulphonyl)thiophene;3-thienylsulfonyl chloride;3-thiophenesulphonylchloride;3-thienyl-sulfonyl chloride;SCHEMBL16795;(3-thienyl)sulfonyl chloride;3-thiophene sulfonyl chloride;3-thiophenyl sulfonyl chloride;DTXSID70380028;YSPWSQNKRBSICH-UHFFFAOYSA-N;MFCD02682011;STL583911;AKOS005169183;CS-W019486;AS-17527;A7565;BB 0261766;FT-0616411;EN300-78571;J-524963;Z1201621835

Chemical Property of Thiophene-3-sulfonyl Chloride

Chemical Property:

• Vapor Pressure: 0.0152mmHg at 25°C
• Melting Point: 44 °C
• Refractive Index: 1.581
• Boiling Point: 265.2 °C at 760 mmHg
• Flash Point: 114.2 °C
• PSA: 70.76000
• Density: 1.58 g/cm³
• LogP: 2.75640
• Storage Temp.: Store under Nitrogen
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.9262994
• Heavy Atom Count: 9
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

Thiophene-3-sulfonylChloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1S(=O)(=O)Cl

Technology Process of Thiophene-3-sulfonyl Chloride

There total 5 articles about Thiophene-3-sulfonyl 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: 74.0%

3-Bromothiophene (872-31-1) → thiophene-3-sulfonyl chloride (51175-71-4)

Guidance literature:

3-Bromothiophene; With sulfur dioxide; tert.-butyl lithium; In diethyl ether; at -78 ℃; for 0.666667h;

With N-chloro-succinimide; In diethyl ether; at 0 - 20 ℃; for 1h;

Reference yield: 54.0%

→ thiophene-3-sulfonyl chloride (51175-71-4)

Guidance literature:

Reference yield:

Thien-3-ylboronic acid (6165-69-1) → thiophene-3-sulfonyl chloride (51175-71-4)

Guidance literature:

With phenylchlorosulfate; C₄₃H₅₅NO₃PPdS; sodium carbonate; In acetone; at 55 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1021/ja405949a

upstream raw materials:

5-iodo-thiophene-2,4-disulfonyl chloride

3-Bromothiophene

Thien-3-ylboronic acid

Downstream raw materials:

N-cyclohexylthiophene-3-sulfonamide

5-ethoxy-1-[(3-thienyl)-sulphonyl]-2-pyrrolidinone

3-(phenylsulfonyl)thiophene

Refernces

• 1、 -. "N-aryl thienyl-, furyl-, and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin". Page column 58. . Retrieved 2010/01/30.
• 2、 -. "THIENYL-, FURYL- AND PYRROLYL- SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN". . . Retrieved 2008/06/13.