4-Carboxymethyl-3-methylbut-2-en-1,4-olide

Base Information

Chemical Name:4-Carboxymethyl-3-methylbut-2-en-1,4-olide
CAS No.:6307-98-8
Molecular Formula:C14H11Cl3N2OS
Molecular Weight:156.138
Hs Code.:
NSC Number:48102,43335
Nikkaji Number:J971.109K
Wikidata:Q27102059
Metabolomics Workbench ID:50625

Synonyms:3-methylmuconolactone;methylmuconolactone

Suppliers and Price of 4-Carboxymethyl-3-methylbut-2-en-1,4-olide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 4-Carboxymethyl-3-methylbut-2-en-1,4-olide

Chemical Property:

Vapor Pressure:7.07E-08mmHg at 25°C
Boiling Point:410.2°Cat760mmHg
Flash Point:178.6°C
Density:1.304g/cm³
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:156.04225873
Heavy Atom Count:11
Complexity:229

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)OC1CC(=O)O
General Description (3-Methyl-5-oxo-2,5-dihydrofuran-2-yl)acetic acid is also known as 3-methylmuconolactone. (3-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetic acid exists in enantiomeric forms, with the (S)-(-)-3-methylmuconolactone being identical to the lactone derived from fungi, while the (S)-(+)-4-methylmuconolactone corresponds to the bacterial lactone. The absolute configurations of these naturally occurring lactones were confirmed through X-ray crystallographic analysis and chemical transformations, including bromination and reduction reactions. The resolution of (±)-3-methylmuconolactone via diastereoisomeric salts further validated its stereochemistry.

Technology Process of 4-Carboxymethyl-3-methylbut-2-en-1,4-olide

There total 12 articles about 4-Carboxymethyl-3-methylbut-2-en-1,4-olide 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: 71.0%

: 452-86-8
4-methyl-1,2-dihydroxybenzene

: 6307-98-8
4-methyl-5-carboxymethyl-2-furanone

: 31659-59-3
(2Z,4E)-3-methyl-2,4-hexadienedioic acid

Guidance literature:: With formic acid; Peroxyformic acid; ferrous ammonium sulphate hexahydrate; In water; for 22h; Green chemistry;
DOI:10.1039/d0gc02157a

Reference yield: 40.0%

: 106-44-5
p-cresol

: 6307-98-8
4-methyl-5-carboxymethyl-2-furanone

: 116672-65-2
3-methyl-hexa-2t,4t-dienedioic acid

Guidance literature:: With 2,2'-dinitro-4,4'-di(trifluoromethyl)diphenyl diselenide; dihydrogen peroxide; In water; tert-butyl alcohol; at 80 ℃; for 20h; regioselective reaction;
DOI:10.1080/00397910802369687