(+)-Isobutyl D-lactate

Base Information

• Chemical Name: (+)-Isobutyl D-lactate
• CAS No.: 61597-96-4
• Molecular Formula: C7H14 O3
• Molecular Weight: 146.186
• Hs Code.: 2918110000
• European Community (EC) Number: 407-770-0,612-178-2
• DSSTox Substance ID: DTXSID601204643
• Nikkaji Number: J70.542J
• Mol file: 61597-96-4.mol

Synonyms:Propanoicacid, 2-hydroxy-, 2-methylpropyl ester, (R)-; (+)-Isobutyl lactate;(R)-(+)-Isobutyl lactate; (R)-(+)-Lactic acid isobutyl ester; (R)-Lactic acidisobutyl ester; D-Isobutyl lactate; Isobutyl (R)-2-hydroxypropionate; Isobutyl(R)-lactate

Chemical Property of (+)-Isobutyl D-lactate

Chemical Property:

• Appearance/Colour: COLORLESS LIQUID
• Vapor Pressure: 0.513mmHg at 25°C
• Refractive Index: n20/D 1.419(lit.)
• Boiling Point: 73 ºC (13 mmHg)
• PKA: 13.04±0.20(Predicted)
• Flash Point: 152 ºF
• PSA: 46.53000
• Density: 0.971
• LogP: 0.56640
• Storage Temp.: 2-8°C
• Water Solubility.: 56.5g/L at 20℃
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

Isobutyl (R)-(+)-lactate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(=O)C(C)O
• Isomeric SMILES: C[C@H](C(=O)OCC(C)C)O

Technology Process of (+)-Isobutyl D-lactate

There total 3 articles about (+)-Isobutyl D-lactate 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:

iso-butyl pyruvate (13051-48-4) → Isobutyl (R)-lactate (61597-96-4,73523-02-1) + (S)-(-)-isobutyllactate (73523-02-1)

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:

2-methyl-propan-1-ol (78-83-1) → Isobutyl (R)-lactate (61597-96-4,73523-02-1)

Guidance literature:

With sulfuric acid;

Reference yield:

2-methyl-propan-1-ol (78-83-1) → Isobutyl (R)-lactate (61597-96-4,73523-02-1)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

iso-butyl pyruvate

2-methyl-propan-1-ol

Downstream raw materials:

(R)-2-bromo-propionic acid isobutyl ester; isobutyl ester of/the/ d-α-bromo-propionic acid

2-Methylpropyl (R)-2-(benzyloxymethoxy)propanoate

(R)-i-butyl lactate (p-methoxyphenyl)methoxymethyl ether

(S)-2-(4-Isobutyl-phenyl)-propionic acid (R)-1-isobutoxycarbonyl-ethyl ester

Refernces