4-Chlorosulfonylcinnamic acid

Base Information

• Chemical Name: 4-Chlorosulfonylcinnamic acid
• CAS No.: 155378-73-7
• Molecular Formula: C9H7ClO4S
• Molecular Weight: 246.671
• European Community (EC) Number: 965-749-6
• Mol file: 155378-73-7.mol

Synonyms:4-CHLOROSULFONYLCINNAMIC ACID;17641-30-4;155378-73-7;(2E)-3-[4-(chlorosulfonyl)phenyl]prop-2-enoic acid;(E)-3-(4-chlorosulfonylphenyl)prop-2-enoic acid;3-[4-(chlorosulfonyl)phenyl]prop-2-enoic acid;(E)-4-Chlorosulfonylcinnamic acid;MFCD00024887;AKOS000267386;3-(4-(Chlorosulfonyl)phenyl)acrylicacid;3-(4-(Chlorosulfonyl)phenyl)acrylic acid;4-chlorosulfonylcinnamic acid, AldrichCPR;EN300-05687;(e)-3-(4-(chlorosulfonyl)phenyl)acrylic acid;EN300-832879;3-(4-CHLOROSULFONYL-PHENYL)-ACRYLICACID;2-Propenoic acid, 3-[4-(chlorosulfonyl)phenyl]-;Z2942851482

Chemical Property of 4-Chlorosulfonylcinnamic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 245.9753576
• Heavy Atom Count: 15
• Complexity: 347

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)S(=O)(=O)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)O)S(=O)(=O)Cl

Technology Process of 4-Chlorosulfonylcinnamic acid

There total 2 articles about 4-Chlorosulfonylcinnamic acid 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: 69.5%

(E)-3-phenylacrylic acid (140-10-3) → (2E)-3-[4-(chlorosulfonyl)phenyl]prop-2-enoic acid (155378-73-7)

Guidance literature:

With chlorosulfonic acid; at 0 - 25 ℃; for 18h;

DOI:10.1039/c0cc02775h

Reference yield:

chlorosulfonic acid (7790-94-5) + (E)-3-phenylacrylic acid (140-10-3) → (2E)-3-[4-(chlorosulfonyl)phenyl]prop-2-enoic acid (155378-73-7)

Guidance literature:

at 35 ℃; for 4h;

DOI:10.1016/j.cbi.2015.03.015

Reference yield: 93.0%

(2E)-3-[4-(chlorosulfonyl)phenyl]prop-2-enoic acid (155378-73-7) → anti-2,3-dibromo-3-(4-chlorosulfonylphenyl)propanoic acid

Guidance literature:

With bromine; acetic acid; at 70 ℃; for 3h;

DOI:10.1515/znb-2009-0307

upstream raw materials:

(E)-3-phenylacrylic acid

chlorosulfonic acid

Downstream raw materials:

(2E)-3-{4-[(phenylamino)sulfonyl]phenyl}prop-2-enoic acid

4-mercapto-trans-cinnamic acid

3-[4-(Biphenyl-4-ylsulfamoyl)-phenyl]-acrylic acid