3-Isopropylmalic acid

Base Information

Chemical Name:3-Isopropylmalic acid
CAS No.:126576-14-5
Molecular Formula:C₇H₁₂O₅
Molecular Weight:176.169
Hs Code.:
European Community (EC) Number:635-670-9
UNII:QDM5GBH98J
Nikkaji Number:J1.641.400J
Wikidata:Q27104507
Metabolomics Workbench ID:41875
ChEMBL ID:CHEMBL376564

Synonyms:3-isopropylmalate;beta-isopropylmalate;beta-isopropylmalate, erythro-(L)-isomer

Suppliers and Price of 3-Isopropylmalic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of 3-Isopropylmalic acid

Chemical Property:

XLogP3:0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:176.06847348
Heavy Atom Count:12
Complexity:186

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C(C(C(=O)O)O)C(=O)O
Isomeric SMILES:CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O

Technology Process of 3-Isopropylmalic acid

There total 5 articles about 3-Isopropylmalic 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:

: 1222442-92-3
2-acetamido-3-(3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoylthio)propanoic acid

: 616-91-1,7696-05-1
N-acetylcystein

: 16048-89-8,921-28-8,16048-77-4,111408-27-6,113473-21-5,126576-14-5
2-hydroxy-3-isopropylbutanedioic acid

Guidance literature:: With water; sodium hydroxide; at 40 ℃; for 1h;
DOI:10.1038/ja.2009.132

Reference yield:

: 108-64-5
Ethyl isovalerate

: 921-28-8,16048-77-4,16048-89-8,111408-27-6,113473-21-5,126576-14-5
DL-threo-3-isopropylmalic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 63 percent / LDA / tetrahydrofuran; hexamethylphosphoric acid triamide / -78 °C

2: 87 percent / pyridine, DMAP

3: 85 percent / RuCl₃, NaIO₄

4: OH(-), H₂O

With pyridine; dmap; ruthenium trichloride; sodium periodate; water; hydroxide; lithium diisopropyl amide; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide;
DOI:10.1246/cl.1987.1745