Allyl 4-(aminosulfonyl)benzoate

Base Information

• Chemical Name: Allyl 4-(aminosulfonyl)benzoate
• CAS No.: 103204-31-5
• Molecular Formula: C10H11NO4S
• Molecular Weight: 241.268
• UNII: NYA4MVZ55P
• ChEMBL ID: CHEMBL381455
• DSSTox Substance ID: DTXSID90468211
• Wikidata: Q82295335
• Mol file: 103204-31-5.mol

Synonyms:allyl 4-(aminosulfonyl)benzoate;Prop-2-enyl 4-sulfamoylbenzoate;103204-31-5;CHEMBL381455;4-Sulfamoyl-benzoic acid allyl ester;NYA4MVZ55P;SCHEMBL6705334;DTXSID90468211;VWKMDRWBZTWKNM-UHFFFAOYSA-N;BDBM50175049;2-Propen-1-yl 4-(aminosulfonyl)benzoate;Benzoic acid, 4-(aminosulfonyl)-, 2-propen-1-yl ester

Chemical Property of Allyl 4-(aminosulfonyl)benzoate

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 241.04087901
• Heavy Atom Count: 16
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N

Technology Process of Allyl 4-(aminosulfonyl)benzoate

There total 2 articles about Allyl 4-(aminosulfonyl)benzoate 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: 29.0%

4-(aminosulfonyl)-benzoic acid (138-41-0) + allyl alcohol (107-18-6) → 4-Sulfamoyl-benzoic acid allyl ester (103204-31-5)

Guidance literature:

With sulfuric acid; at 70 ℃; for 48h;

DOI:10.1016/j.bmcl.2005.08.113

Reference yield:

allyl iodid (556-56-9) + 4-(aminosulfonyl)-benzoic acid (138-41-0) → 4-Sulfamoyl-benzoic acid allyl ester (103204-31-5)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide;

Reference yield: 29.0%

4-Sulfamoyl-benzoic acid allyl ester (103204-31-5) → C18H18N2O8S2

Guidance literature:

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In 1,2-dichloro-ethane; at 150 ℃; for 0.333333h; microwave irradiation;

DOI:10.1016/j.bmc.2005.12.054

upstream raw materials:

4-(aminosulfonyl)-benzoic acid

allyl alcohol

allyl iodid