(R)-1,2-Pentanediol

Base Information

• Chemical Name: (R)-1,2-Pentanediol
• CAS No.: 108340-61-0
• Molecular Formula: C5H12 O2
• Molecular Weight: 104.149
• Hs Code.: 2905399090
• DSSTox Substance ID: DTXSID401315395
• Nikkaji Number: J76.151F
• Mol file: 108340-61-0.mol

Synonyms:108340-61-0;(R)-1,2-Pentanediol;(2R)-1,2-PENTANEDIOL;(2R)-pentane-1,2-diol;(r)-pentan-1,2-diol;SCHEMBL2381476;DTXSID401315395;EN300-7585651

Chemical Property of (R)-1,2-Pentanediol

Chemical Property:

• PSA: 40.46000
• LogP: 0.13970
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 104.083729621
• Heavy Atom Count: 7
• Complexity: 37.1

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CO)O
• Isomeric SMILES: CCC[C@H](CO)O

Technology Process of (R)-1,2-Pentanediol

There total 44 articles about (R)-1,2-Pentanediol 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: 90.0%

1-penten (109-67-1) → (R)-1,2-pentanediol (108340-61-0)

Guidance literature:

With AD-mix-β; In water; tert-butyl alcohol; at 0 ℃; for 40h;

Reference yield: 76.0%

(2R)-2-hydroxypentanoic acid (24809-83-4,6450-97-1) → (R)-1,2-pentanediol (108340-61-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.202000459

Reference yield: 66.0%

2-(S)-hydroxyvaleric acid (41014-93-1,6450-97-1) → (S)-(-)-1,2-pentanediol (29117-54-2) + (R)-1,2-pentanediol (108340-61-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Yields of byproduct given; 1.) 0 deg C, then 3 h rt.;

DOI:10.1016/S0040-4020(01)80027-2

upstream raw materials:

(3R)-1-hexen-3-ol

1-hydroxypentan-2-one

2-(S)-hydroxyvaleric acid

1-penten

Downstream raw materials:

(R)-(+)-2-hydroxypentyl tosylate

(+)-(R)-4-propyl-4,5-dihydrofuran-2(3H)-one