2-Propylsuccinic acid

Base Information Edit

Chemical Name:2-Propylsuccinic acid
CAS No.:618-57-5
Molecular Formula:C₇H₁₂O₄
Molecular Weight:160.17
Hs Code.:
DSSTox Substance ID:DTXSID90388743
Nikkaji Number:J135.629A
Wikidata:Q27149693
Mol file:618-57-5.mol

Synonyms:2-propylbutanedioic acid;2-Propylsuccinic acid;618-57-5;2-PROPYL SUCCINIC ACID;2-PSA;propylsuccinic acid;SCHEMBL707746;CHEBI:80643;DTXSID90388743;AKOS006276601;AS-78960;D93521;EN300-1845699;Q27149693

Suppliers and Price of 2-Propylsuccinic acid

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

American Custom Chemicals Corporation
2-PROPYL SUCCINIC ACID 95.00%
5MG
$ 495.04

Total 8 raw suppliers

Chemical Property of 2-Propylsuccinic acid Edit

Chemical Property:

Melting Point:100.5 °C
Boiling Point:265.8±13.0 °C(Predicted)
PKA:4.56±0.19(Predicted)
PSA：74.60000
Density:1 +-.0.06 g/cm3(Predicted)
LogP:0.96200
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:160.07355886
Heavy Atom Count:11
Complexity:153

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-PROPYL SUCCINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(CC(=O)O)C(=O)O
Uses 2-Propylsuccinic Acid is a metabolite of valproic acid (V094750 ). Valproic acid is an anticonvulsant that acts as a mood stabilizer for those with bipolar disorder.

Technology Process of 2-Propylsuccinic acid

There total 26 articles about 2-Propylsuccinic acid 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: 83.0%

: 23143-72-8
dimethyl 2-propylsuccinate

: 618-57-5
propyl-succinic acid

Guidance literature:: With sodium hydroxide; In ethanol; for 5h; Heating;
DOI:10.1055/s-2002-23548

Reference yield:

: 139474-72-9
dimethyl (E)-2-(propylidene)succinate

: 618-57-5
propyl-succinic acid

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 10 percent Pd/C / ethyl acetate / 6 h / 20 °C / 2068.59 Torr

2: 83 percent / aq. NaOH / ethanol / 5 h / Heating

With sodium hydroxide; hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate;
DOI:10.1055/s-2002-23548