1,5-Dimethyl 4-oxopent-2-enedioate

Base Information Edit

Chemical Name:1,5-Dimethyl 4-oxopent-2-enedioate
CAS No.:78939-37-4
Molecular Formula:C7H8O5
Molecular Weight:172.138
Hs Code.:2918300090
DSSTox Substance ID:DTXSID00694185
Mol file:78939-37-4.mol

Synonyms:1,5-dimethyl 4-oxopent-2-enedioate;DTXSID00694185;AKOS030255976;FT-0667501

Suppliers and Price of 1,5-Dimethyl 4-oxopent-2-enedioate

Supply Marketing:Edit

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

TRC
Dimethyl2-Oxoglutaconate
250mg
$ 130.00

Medical Isotopes, Inc.
Dimethyl2-Oxoglutaconate
1 g
$ 875.00

Matrix Scientific
Dimethyl(2E)-4-oxopent-2-enedioate 95%
1g
$ 560.00

A1 Biochem Labs
Dimethyl(2E)-4-oxopent-2-enedioate 95%
1 g
$ 375.00

Total 8 raw suppliers

Chemical Property of 1,5-Dimethyl 4-oxopent-2-enedioate Edit

Chemical Property:

Melting Point:52-54?C
Boiling Point:242℃
Flash Point:101℃
PSA：69.67000
Density:1.214
LogP:-0.54230
Storage Temp.:Refrigerator, Under Inert Atmosphere
Solubility.:Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly)
XLogP3:0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:172.03717335
Heavy Atom Count:12
Complexity:228

Purity/Quality:

99% ^*data from raw suppliers

Dimethyl2-Oxoglutaconate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C=CC(=O)C(=O)OC
Uses Dimethyl 2-Oxoglutaconate is a useful synthetic intermediate.

Technology Process of 1,5-Dimethyl 4-oxopent-2-enedioate

There total 3 articles about 1,5-Dimethyl 4-oxopent-2-enedioate 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:

: 67-56-1
methanol

: 328-50-7
α-ketoglutaric acid

: 78939-37-4
4-oxo-pent-2-enedioic acid dimethyl ester

Guidance literature:: methanol; α-ketoglutaric acid; With thionyl chloride; at -5 ℃;

With bromine; In dichloromethane; for 3h; Reflux;

With triethylamine; In diethyl ether; for 0.5h;

Reference yield:

: 148728-48-7
3-bromo-2-oxopentane-1,5-dioic acid dimethyl ester

: 78939-37-4
4-oxo-pent-2-enedioic acid dimethyl ester

Guidance literature:: With triethylamine; In diethyl ether; at 25 ℃; for 20h; Yield given;
DOI:10.1021/ja00408a067

Reference yield:

: 13192-04-6
dimethyl 2-ketoglutarate

: 78939-37-4
4-oxo-pent-2-enedioic acid dimethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: Br₂ / CH₂Cl₂ / Heating

2: Et₃N / diethyl ether / 20 h / 25 °C

With bromine; triethylamine; In diethyl ether; dichloromethane;
DOI:10.1021/ja00408a067