(E)-o-Sulfamoylcinnamic acid methyl ester

Base Information

Chemical Name:(E)-o-Sulfamoylcinnamic acid methyl ester
CAS No.:21416-94-4
Molecular Formula:C10H11NO4S
Molecular Weight:241.2636
Hs Code.:
Wikidata:Q76325489
Mol file:21416-94-4.mol

Synonyms:(E)-o-Sulfamoylcinnamic acid methyl ester;BRN 2733849;CINNAMIC ACID, o-SULFAMOYL-, METHYL ESTER, (E)-;LS-54180;21416-94-4

Suppliers and Price of (E)-o-Sulfamoylcinnamic acid methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (E)-o-Sulfamoylcinnamic acid methyl ester

Chemical Property:

Vapor Pressure:6.29E-08mmHg at 25°C
Boiling Point:439.6°Cat760mmHg
Flash Point:219.7°C
Density:1.345g/cm³
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:241.04087901
Heavy Atom Count:16
Complexity:369

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C=CC1=CC=CC=C1S(=O)(=O)N
Isomeric SMILES:COC(=O)/C=C/C1=CC=CC=C1S(=O)(=O)N

Technology Process of (E)-o-Sulfamoylcinnamic acid methyl ester

There total 3 articles about (E)-o-Sulfamoylcinnamic acid methyl ester 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: 53.0%

: methyl (E)-3-(2-(chlorosulfonyl)phenyl)acrylate

: 21416-94-4
methyl (E)-3-(2-sulfamoylphenyl)acrylate

Guidance literature:: With ammonia; In 1,4-dioxane; at 0 ℃; for 0.5h; Schlenk technique;
DOI:10.1021/ja4076716

Reference yield:

: sodium 2-(2-methoxycarbonyl-vinyl)benzenesulfonate

: 21416-94-4
methyl (E)-3-(2-sulfamoylphenyl)acrylate

Guidance literature:: sodium 2-(2-methoxycarbonyl-vinyl)benzenesulfonate; With thionyl chloride; In N,N-dimethyl-formamide; at 80 ℃; for 2h;

With ammonium hydroxide; In tetrahydrofuran; at 0 ℃; for 0.166667h;
DOI:10.1021/jo000952n

Reference yield:

: 1008-72-6
sodium 2-formylbenzenesulfonate

: 21416-94-4
methyl (E)-3-(2-sulfamoylphenyl)acrylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: K₂CO₃ / H₂O / 6 h / 25 °C

2.1: SOCl₂ / dimethylformamide / 2 h / 80 °C

2.2: 19.5 g / aq. NH₄OH / tetrahydrofuran / 0.17 h / 0 °C

With thionyl chloride; potassium carbonate; In water; N,N-dimethyl-formamide; 1.1: Wittig-Horner-Emmons reaction / 1.2: transesterification / 2.1: Substitution / 2.2: Substitution;
DOI:10.1021/jo000952n