(r)-2-Ethylhexanol

Base Information

• Chemical Name: (r)-2-Ethylhexanol
• CAS No.: 50373-29-0
• Molecular Formula: C8H18O
• Molecular Weight: 130.23
• DSSTox Substance ID: DTXSID50426296
• Nikkaji Number: J59.027D
• Wikidata: Q75187061
• Mol file: 50373-29-0.mol

Synonyms:50373-29-0;(R)-2-Ethylhexan-1-ol;(r)-2-ethylhexanol;2-Ethyl-hexan-1-ol;ZINC01529451;(R)-2-Ethyl-1-hexanol;SCHEMBL8420801;DTXSID50426296

Chemical Property of (r)-2-Ethylhexanol

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 52.5

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)CO
• Isomeric SMILES: CCCC[C@@H](CC)CO

Technology Process of (r)-2-Ethylhexanol

There total 2 articles about (r)-2-Ethylhexanol 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: 85.0%

(R)-3-[(R)-2-ethyl-1-oxohexyl]-5,5-dimethyl-4-phenyl-2-oxazolidinone → (R)-2-ethylhexanol (50373-29-0) + (R)-(-)-5,5-dimethyl-4-phenyl-2-oxazolidinone (170918-42-0)

Guidance literature:

With sodium tetrahydroborate; water; In tetrahydrofuran; at 0 - 25 ℃; for 16h;

DOI:10.2174/1570178616666190718125617

Reference yield: 31.0%

vinyl acetate (108-05-4,9003-20-7) + 2-Ethylhexyl alcohol (104-76-7) → (R)-2-ethylhexanol (50373-29-0) + (R)-2-ethylhexyl acetate + (S)-2-ethylhexyl acetate (50373-28-9)

Guidance literature:

With lipase from Pseudomonas fluorescens; In dichloromethane; at 0 ℃; for 48h;

Reference yield: 94.0%

(R)-2-ethylhexanol (50373-29-0) + (4S,5R)-(-)-4-Methyl-5-phenyloxazolidine-2-selone (138715-28-3) → (4S,5R)-2-((R)-2-ethylhexylselanyl)-4-methyl-5-phenyl-4,5-dihydrooxazole (1116651-74-1)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.200804369

upstream raw materials:

vinyl acetate

2-Ethylhexyl alcohol

Downstream raw materials:

3-(bromomethyl)heptane

(-)(R)-3-iodomethyl-heptane

(Z)-but-2-enedioic acid mono[(R)-2-ethylhexyl] ester

(4S,5R)-2-((R)-2-ethylhexylselanyl)-4-methyl-5-phenyl-4,5-dihydrooxazole