4-Propoxybenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Propoxybenzenesulfonyl chloride
• CAS No.: 58076-32-7
• Molecular Formula: C9H11ClO3S
• Molecular Weight: 234.704
• Hs Code.: 2909309090
• European Community (EC) Number: 860-095-7
• DSSTox Substance ID: DTXSID90481905
• Wikidata: Q82317594
• Mol file: 58076-32-7.mol

Synonyms:58076-32-7;4-propoxybenzenesulfonyl chloride;4-propoxybenzene-1-sulfonyl chloride;4-propoxy-Benzenesulfonyl chloride;4-Propoxy-Benzenesulfonylchloride;Benzenesulfonyl chloride, 4-propoxy-;SCHEMBL1189822;DTXSID90481905;LHYZGURMLPSRFU-UHFFFAOYSA-N;4-propoxybenzene-1-sulfonylchloride;AKOS000155729;CS-0247347;FT-0712756;EN300-36488;A18932;4-propoxybenzene-1-sulfonyl chloride, AldrichCPR

Chemical Property of 4-Propoxybenzenesulfonyl chloride

Chemical Property:

• PSA: 51.75000
• LogP: 3.48370
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 234.0117431
• Heavy Atom Count: 14
• Complexity: 250

Purity/Quality:

98%min ^*data from raw suppliers

4-Propoxybenzene-1-sulfonylchloride 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)S(=O)(=O)Cl

Technology Process of 4-Propoxybenzenesulfonyl chloride

There total 7 articles about 4-Propoxybenzenesulfonyl 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: 50.0%

chlorosulfonic acid (7790-94-5) + propoxybenzene (622-85-5) → 4-n-propoxy-1-benzenesulfonyl chloride (58076-32-7)

Guidance literature:

In dichloromethane; for 2h;

DOI:10.1016/j.bmc.2015.09.024

Reference yield:

propoxybenzene (622-85-5) → 4-n-propoxy-1-benzenesulfonyl chloride (58076-32-7)

Guidance literature:

With chlorosulfonic acid; In chloroform; at 0 ℃;

Reference yield:

→ 4-n-propoxy-1-benzenesulfonyl chloride (58076-32-7)

Guidance literature:

With phosphorus pentachloride;

DOI:10.1021/ja01197a052

upstream raw materials:

propoxybenzene

sodium phenoxide

phenol

chlorosulfonic acid

Downstream raw materials:

1-(4-propoxy-benzenesulfonyl)-piperidine

4-n-propoxybenzenesulfonamide

4-Propoxy-benzolsulfonsaeure-hydrazid

5-Fluoro-1-(4-propoxy-benzenesulfonyl)-1H-pyrimidine-2,4-dione

Refernces

• 1、 Chan, Michael,Lao, Fitzgerald S.,Chu, Paul J.,Shpigelman, Jonathan,Yao, Shiyin,Nan, Jason,Sato-Kaneko, Fumi,Li, Vicky,Hayashi, Tomoko,Corr, Maripat,Carson, Dennis A.,Cottam, Howard B.,Shukla, Nikunj M.. "Structure-Activity Relationship Studies to Identify Affinity Probes in Bis-aryl Sulfonamides That Prolong Immune Stimuli". supporting information. p. 9521 - 9540. Retrieved 2019/11/11.
• 2、 Liu, Peihong,Du, Yongli,Song, Lianhua,Shen, Jingkang,Li, Qunyi. "Novel, potent, selective and cellular active ABC type PTP1B inhibitors containing (methanesulfonyl-phenyl-amino)-acetic acid methyl ester phosphotyrosine mimetic". . p. 7079 - 7088. Retrieved 2015/11/11.