5,6-Dimethyl-4-oxopyran-2-carboxylate

Base Information

Chemical Name:5,6-Dimethyl-4-oxopyran-2-carboxylate
CAS No.:92490-75-0
Molecular Formula:C₈H₈O₄
Molecular Weight:168.149
Hs Code.:2932999099
DSSTox Substance ID:DTXSID20427538
Wikidata:Q82240192
Mol file:92490-75-0.mol

Synonyms:92490-75-0;5,6-dimethyl-4-oxopyran-2-carboxylate;DTXSID20427538

Suppliers and Price of 5,6-Dimethyl-4-oxopyran-2-carboxylate

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 3 raw suppliers

Chemical Property of 5,6-Dimethyl-4-oxopyran-2-carboxylate

Chemical Property:

Vapor Pressure:1.47E-05mmHg at 25°C
Boiling Point:341.4°Cat760mmHg
Flash Point:143.8°C
PSA：70.34000
Density:g/cm³
LogP:-0.37990
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:167.03443370
Heavy Atom Count:12
Complexity:304

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(OC(=CC1=O)C(=O)[O-])C

Technology Process of 5,6-Dimethyl-4-oxopyran-2-carboxylate

There total 3 articles about 5,6-Dimethyl-4-oxopyran-2-carboxylate 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:

: 6050-54-0
methyl-2 (oxo-2 butyl-3)-2 dioxolanne-1,3

: 92490-75-0
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid

Guidance literature:: methyl-2 (oxo-2 butyl-3)-2 dioxolanne-1,3; With sodium methylate; In methanol; at 15 ℃; for 2h;

With oxalic acid diethyl ester; In methanol; at 15 - 30 ℃; for 72h;

With hydrogenchloride; In water; at 10 ℃; for 18h; Reflux;

Reference yield:

: 815-57-6
3-Methyl-2,4-pentanedione

: 92490-75-0
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: toluene-4-sulfonic acid / benzene / 3 h / Reflux; Dean-Stark

2.1: sodium methylate / methanol / 2 h / 15 °C

2.2: 72 h / 15 - 30 °C

2.3: 18 h / 10 °C / Reflux

With sodium methylate; toluene-4-sulfonic acid; In methanol; benzene;

Reference yield:

: 6050-54-0
methyl-2 (oxo-2 butyl-3)-2 dioxolanne-1,3

: 95-92-1
oxalic acid diethyl ester

: 92490-75-0
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid

Guidance literature:: With hydrogenchloride; sodium methylate; Yield given. Multistep reaction; 1.) anhydrous methanol, overnight, room temp.; 2.) 24h at room temp. + 2h reflux;
DOI:10.1021/jo00197a040