(R)-(-)-2-Pentanol

Base Information

• Chemical Name: (R)-(-)-2-Pentanol
• CAS No.: 31087-44-2
• Molecular Formula: C5H12O
• Molecular Weight: 88.1497
• Hs Code.: 2905199090
• European Community (EC) Number: 622-562-1
• DSSTox Substance ID: DTXSID001339054
• Nikkaji Number: J75.835C
• Wikidata: Q24953060
• Mol file: 31087-44-2.mol

Synonyms:(R)-2-Pentanol;

Chemical Property of (R)-(-)-2-Pentanol

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Melting Point: -51.44°C (estimate)
• Refractive Index: n20/D 1.406(lit.)
• Boiling Point: 118.8 °C at 760 mmHg
• PKA: 15.31±0.20(Predicted)
• Flash Point: 33.9 °C
• PSA: 20.23000
• Density: 0.809 g/cm³
• LogP: 1.16730
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 88.088815002
• Heavy Atom Count: 6
• Complexity: 27.1

Purity/Quality:

≥99% ^*data from raw suppliers

(R)?-?(-?)?-?2-?Pentanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20-66-37
• Safety Statements: 24/25-46

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)O
• Isomeric SMILES: CCC[C@@H](C)O
• Uses: (R)?-?(-?)?-?2-?Pentanol is a chiral building block used in the synthesis of banana volatile (S)-2-pentyl (R)-3-hydroxyhexanoate.

Technology Process of (R)-(-)-2-Pentanol

There total 52 articles about (R)-(-)-2-Pentanol 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:

2-Pentanone (107-87-9) → (S)-2-pentanol (26184-62-3) + (R)-2-pentanol (31087-44-2,13403-73-1)

Guidance literature:

SADH from Thermoanaerobacter ethanolicus; at 37 ℃; Product distribution; enantiospecificity in enzymatic reaction; var. temp.;

DOI:10.1021/ja00187a089

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + (+/-)-2-pentanol (6032-29-7,13403-73-1) → (S)-2-pentanol (26184-62-3) + (R)-2-pentanol (31087-44-2,13403-73-1) + (R)-pentan-2-yl acetate (54638-10-7) + (S)-pentan-2-yl acetate

Guidance literature:

With Escherichia coli BioH; In hexane; at 35 ℃; for 28h; optical yield given as %ee; enantioselective reaction; Resolution of racemate;

DOI:10.1016/j.tetlet.2010.09.135

Reference yield:

pentane (109-66-0,8031-35-4,9078-70-0) → (S)-2-pentanol (26184-62-3) + (R)-2-pentanol (31087-44-2,13403-73-1) + pentan-1-ol (71-41-0)

Guidance literature:

With 1,4-dihydronicotinamide adenine dinucleotide; PIPES buffer; particulate methane monooxygenase; In water; at 45 ℃; pH=7.3; Kinetics;

DOI:10.1021/ja971049g

upstream raw materials:

(+/-)-2-pentanol

(4R)-pentane-1,4-diol

(R)-(+)-pent-3-yn-2-ol

tributyrin

Downstream raw materials:

(2R,1'R,2'S,5'R)-2-(2-Isopropyl-5-methylcyclohexyloxymethoxy)pentane

2-bromopentane

(S)-2-pentanol

carbonic acid (S)-1-(5-{(R)-(4-{amino[benzoylimino]methyl}phenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxy)ethyl ester (R)-1-methylbutyl ester