Propanoic acid, 2-hydroxy-, butyl ester, (2R)-

Base Information

• Chemical Name: Propanoic acid, 2-hydroxy-, butyl ester, (2R)-
• CAS No.: 34451-18-8
• Molecular Formula: C7H14O3
• Molecular Weight: 146.186
• UNII: 1908Q519SF
• DSSTox Substance ID: DTXSID20426384
• Nikkaji Number: J1.337.209H
• Wikidata: Q27252046
• Mol file: 34451-18-8.mol

Synonyms:(-)-Butyl lactate;(-)-N-Butyl lactate;Butyl lactate, (R)-;D-Lactic acid N-butyl ester;34451-18-8;UNII-1908Q519SF;Propanoic acid, 2-hydroxy-, butyl ester, (2R)-;1908Q519SF;D-Lactic acid butyl ester;(R)-butyl lactate;D-Milchsaurebutylester;SCHEMBL2103330;DTXSID20426384;Q27252046

Chemical Property of Propanoic acid, 2-hydroxy-, butyl ester, (2R)-

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C(C)O
• Isomeric SMILES: CCCCOC(=O)[C@@H](C)O

Technology Process of Propanoic acid, 2-hydroxy-, butyl ester, (2R)-

There total 2 articles about Propanoic acid, 2-hydroxy-, butyl ester, (2R)- 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:

n-butyl pyruvate (20279-44-1) → butyl (S)-(-)-lactate (34451-19-9) + (R)-lactic acid butyl ester (34451-18-8)

Guidance literature:

With hydrogen; butan-1-ol; PVP-Pt; Cinchonidin; In acetic acid; at 24.85 ℃; for 0.5h; under 30002.4 Torr; Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(99)00415-9

Reference yield:

LACTIC ACID (849585-22-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + butan-1-ol (71-36-3) → butyl (S)-(-)-lactate (34451-19-9) + (R)-lactic acid butyl ester (34451-18-8)

Guidance literature:

In toluene; at 30 ℃; for 3.2h; Product distribution; lipase from Candida cylindracea; other 2-hydroxy acids, var. solvents;

DOI:10.1021/ja00006a051

Reference yield:

(R)-lactic acid butyl ester (34451-18-8) → propylene glycol (57-55-6,63625-56-9)

Guidance literature:

at 225 ℃; under 110326 - 147102 Torr; Hydrogenation;

DOI:10.1021/ja01318a046

upstream raw materials:

LACTIC ACID

butan-1-ol

n-butyl pyruvate

Downstream raw materials:

propylene glycol

D-Lactic acid

Refernces

• 1、 Parida, Sanghamitra,Dordick, Jonathan S.. "Substrate Structure and Solvent Hydrophobicity Control Lipase Catalysis and Enantioselectivity in Organic Media". . p. 2253 - 2259. Retrieved 2007/10/02.