beta-Isopropylmalate

Base Information Edit

Chemical Name:beta-Isopropylmalate
CAS No.:921-28-8
Molecular Formula:C₇H₁₂O₅
Molecular Weight:176.169
Hs Code.:
European Community (EC) Number:635-670-9
UNII:29405QVM5W
DSSTox Substance ID:DTXSID60238862
Wikidata:Q27095097
Mol file:921-28-8.mol

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

Suppliers and Price of beta-Isopropylmalate

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

Total 4 raw suppliers

Chemical Property of beta-Isopropylmalate Edit

Chemical Property:

Vapor Pressure:7.21E-05mmHg at 25°C
Boiling Point:306.4°Cat760mmHg
Flash Point:153.3°C
Density:1.334g/cm³
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:: 99% ^*data from raw suppliers

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 beta-Isopropylmalate

There total 5 articles about beta-Isopropylmalate 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