Hexanoic acid, 3-hydroxy-5-methyl-, methyl ester, (3R)-

Base Information

Chemical Name:Hexanoic acid, 3-hydroxy-5-methyl-, methyl ester, (3R)-
CAS No.:159419-35-9
Molecular Formula:C8H16O3
Molecular Weight:160.213
Hs Code.:
DSSTox Substance ID:DTXSID80448320
Nikkaji Number:J765.598C
Wikidata:Q82267293
Mol file:159419-35-9.mol

Synonyms:159419-35-9;Hexanoic acid, 3-hydroxy-5-methyl-, methyl ester, (3R)-;methyl (3R)-3-hydroxy-5-methylhexanoate;SCHEMBL12136577;DTXSID80448320;EN300-1840156;(R)-3-Hydroxy-5-methylhexanoic acid methyl ester

Suppliers and Price of Hexanoic acid, 3-hydroxy-5-methyl-, methyl ester, (3R)-

Supply Marketing:

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

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Chemical Property of Hexanoic acid, 3-hydroxy-5-methyl-, methyl ester, (3R)-

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:160.109944368
Heavy Atom Count:11
Complexity:121

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Hexanoic acid, 3-hydroxy-5-methyl-, methyl ester, (3R)-

There total 2 articles about Hexanoic acid, 3-hydroxy-5-methyl-, methyl ester, (3R)- 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: 96.0%

: 30414-55-2
methyl 5-methyl-3-oxohexanoate

: 159419-35-9
methyl (R)-5-methyl-3-hydroxypentanoate

Guidance literature:: With hydrogen; RuCl₂[S-BINAP]; In methanol; at 20 ℃; for 72h; under 76000 Torr;
DOI:10.1002/1522-2675(200202)85:2<633::AID-HLCA633>3.0.CO;2-1

Reference yield:

: 30414-55-2
methyl 5-methyl-3-oxohexanoate

: 159419-35-9
methyl (R)-5-methyl-3-hydroxypentanoate

: (S)-methyl 3-hydroxy-5-methylhexanoate

Guidance literature:: With L-Tartaric acid; hydrogen; sodium bromide; nickel; In tetrahydrofuran; at 60 ℃; for 76h; under 750060 Torr; Title compound not separated from byproducts;
DOI:10.1246/bcsj.75.355

Reference yield:

: 159419-35-9
methyl (R)-5-methyl-3-hydroxypentanoate

: 434343-69-8
benzyl (3R)-3-{[(3'R)-3'-({(3S)-3-[((3R')-3'-{[(3R)-3-({(3'S)-3'-[(tert-butyl)diphenylsilyloxy]-4'-methylpentanoyl}oxy)butanoyl]oxy}-5'-methylhexanoyl)oxy]-4-methylpentanoyl}oxy)butanoyl]oxy}-5-met...

Guidance literature:: Multi-step reaction with 7 steps

1: 74 percent / KOH / ethanol / 24 h / 0 - 20 °C

2: 93 percent / NaHCO₃ / dimethylformamide / 24 h / 20 °C

3: 77 percent / pyridine / CH₂Cl₂ / -78 °C

4: 95 percent / 70 percent HF*pyridine / CH₂Cl₂ / 0.33 h / 0 °C

5: 89 percent / pyridine / CH₂Cl₂ / -78 °C

6: 87 percent / 70 percent HF*pyridine / CH₂Cl₂ / 0.33 h / 0 °C

7: pyridine / CH₂Cl₂ / -78 - 20 °C

With pyridine; potassium hydroxide; sodium hydrogencarbonate; pyridine hydrogenfluoride; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1002/1522-2675(200202)85:2<633::AID-HLCA633>3.0.CO;2-1