3-Methylitaconate

Base Information

Chemical Name:3-Methylitaconate
CAS No.:102714-66-9
Molecular Formula:C₆H₈O₄
Molecular Weight:144.127
Hs Code.:
DSSTox Substance ID:DTXSID201347631
ChEMBL ID:CHEMBL4761396
Mol file:102714-66-9.mol

Synonyms:3-methylitaconate;3-methylitaconate, (+-)-isomer;3-methylitaconate, (R)-isomer

Suppliers and Price of 3-Methylitaconate

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 1 raw suppliers

Chemical Property of 3-Methylitaconate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:379.3°Cat760mmHg
Flash Point:197.3°C
PSA：74.60000
Density:1.307g/cm³
LogP:0.49200
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:144.04225873
Heavy Atom Count:10
Complexity:180

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=C(CC(=O)O)C(=O)O
Isomeric SMILES:C/C=C(\CC(=O)O)/C(=O)O

Technology Process of 3-Methylitaconate

There total 3 articles about 3-Methylitaconate 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:

: 110658-25-8
(S)-2-Methyl-3-methylene-succinic acid dimethyl ester

: 102714-66-9
S-3-methylitaconic acid

Guidance literature:: With hydrogenchloride; at 70 ℃; for 6h;
DOI:10.1021/ja00054a021

Reference yield:

: 84819-91-0
dimethyl β-methyl-α-methylenesuccinate

: 102714-66-9
S-3-methylitaconic acid

Guidance literature:: Multi-step reaction with 2 steps

2: 20percent aq. HCl / 6 h / 70 °C

With hydrogenchloride;
DOI:10.1021/ja00054a021