4-Hydroxyisovaleric acid

Base Information

Chemical Name:4-Hydroxyisovaleric acid
CAS No.:77220-86-1
Molecular Formula:C₅H₁₀O₃
Molecular Weight:118.133
Hs Code.:
DSSTox Substance ID:DTXSID60868426
Wikidata:Q27162231
Metabolomics Workbench ID:1515
ChEMBL ID:CHEMBL353863
Mol file:77220-86-1.mol

Synonyms:4-hydroxyisopentanoate;4-hydroxyisopentanoic acid;4-hydroxyisovalerate;4-hydroxyisovaleric acid

Suppliers and Price of 4-Hydroxyisovaleric acid

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 7 raw suppliers

Chemical Property of 4-Hydroxyisovaleric acid

Chemical Property:

Vapor Pressure:0.000564mmHg at 25°C
Refractive Index:1.458
Boiling Point:277.272 °C at 760 mmHg
Flash Point:135.733 °C
PSA：57.53000
Density:1.14 g/cm³
LogP:0.08950
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:118.062994177
Heavy Atom Count:8
Complexity:79.7

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC(=O)O)CO

Technology Process of 4-Hydroxyisovaleric acid

There total 9 articles about 4-Hydroxyisovaleric 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: 7.0%

: 44647-19-0
(E)-4-hydroxy-3-methylbut-2-enoic acid

: 77220-86-1,108772-87-8
(S)-4-Hydroxy-3-methyl-butyric acid

: 108772-87-8
(R)-4-Hydroxy-3-methyl-butyric acid

Guidance literature:: With hydrogen; Ru<(R)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl>(OCOCH3)2; In methanol; at 15 - 30 ℃; for 16h; under 65360 Torr; Title compound not separated from byproducts;
DOI:10.1021/jo00390a043

Reference yield:

: 97-65-4,25119-64-6
2-methylenesuccinic acid

: 13423-15-9
3-methyltetrahydrofuran

: 64190-48-3,65284-00-6,70470-05-2,1679-49-8
dihydro-4-methyl-2(3H)-furanone

: 498-21-5,636-60-2
2-methylbutanedioic acid

: 108772-87-8,77220-86-1
4-hydroxy-3-methylbutanoic acid

: 81381-89-7
2-methyl-γ-hydroxybutyric acid

: 1679-47-6
3-methyltetrahydro-2-furanone

Guidance literature:: With hydrogen; In water; at 180 ℃; for 20h; under 30003 Torr; Temperature; Pressure; Autoclave;
DOI:10.1016/j.catcom.2014.12.017

Reference yield:

: C₇H₁₃BrO₂Si

: 108772-87-8,77220-86-1
4-hydroxy-3-methylbutanoic acid

: 4374-62-3
2-hydroxymethyl-butyric acid

Guidance literature:: With potassium fluoride; 2,2'-azobis(isobutyronitrile); dihydrogen peroxide; tri-n-butyl-tin hydride; Multistep reaction. Title compound not separated from byproducts;
DOI:10.1016/0040-4039(96)01931-4