(R)-2-Acetoxy-3-methylbutanoic acid

Base Information

• Chemical Name: (R)-2-Acetoxy-3-methylbutanoic acid
• CAS No.: 44976-78-5
• Molecular Formula: C₇H₁₂O₄
• Molecular Weight: 160.17
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID70457168
• Nikkaji Number: J57.265I
• Wikidata: Q82279912
• Mol file: 44976-78-5.mol

Synonyms:(R)-2-Acetoxy-3-methylbutanoic acid;44976-78-5;(2R)-2-acetyloxy-3-methylbutanoic acid;(R)-2-acetoxy-3-methylbutanoicacid;SCHEMBL1803735;DTXSID70457168;CS-M0921;AKOS006372295;CS-13738;[R,(+)]-2-Acetyloxy-3-methylbutyric acid;A912504;J-502172

Chemical Property of (R)-2-Acetoxy-3-methylbutanoic acid

Chemical Property:

• PSA: 63.60000
• LogP: 0.65870
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

(R)-2-acetoxy-3-methylbutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (R)-2-Acetoxy-3-methylbutanoic acid

There total 5 articles about (R)-2-Acetoxy-3-methylbutanoic acid 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:

vinyl acetate (108-05-4,9003-20-7) + 2-hydroxy-3-methylbutanoic acid (4026-18-0,17407-55-5,17407-56-6,600-37-3) → (R)-2-acetoxy-3-methylbutanoic acid (44976-78-5) + (S)-2-acetoxy-3-methylbutanoic acid (18667-97-5)

Guidance literature:

With lipase from Burkholderia species; In various solvent(s); at 20 ℃; for 13h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1002/(sici)1099-0690(199809)1998:9<2013::aid-ejoc2013>3.0.co;2-s

Reference yield:

→ (R)-2-acetoxy-3-methylbutanoic acid (44976-78-5)

Guidance literature:

With permanganate(VII) ion; acetone;

Reference yield:

D-Val-OH (640-68-6,25609-85-2,7004-03-7,921-10-8) + acetic acid (64-19-7,77671-22-8) → (R)-2-acetoxy-3-methylbutanoic acid (44976-78-5)

Guidance literature:

With sodium acetate; isopentyl nitrite;

upstream raw materials:

2-acetoxy-3-methylbutanoic acid

D-Val-OH

acetic acid

vinyl acetate

Downstream raw materials:

D-α-Acetoxy-isovaleriansaeure-tert-butylester

(-)-tert-butyl 2-hydroxy-3-methylbutanoate

N-Benzyloxycarbonyl-N-methyl-L-Val-D-α-hydroxy-isovaleryl-N-methyl-L-Val-D-α-hydroxy-isovaleriansaeure-tert.-butylester

N-Benzyloxycarbonyl-N-methyl-L-Val-D-α-hydroxy-isovaleriansaeure-tert.-butylester

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