Butanoic acid, [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester

Base Information

• Chemical Name: Butanoic acid, [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
• CAS No.: 57415-99-3
• Molecular Formula: C10H18O4
• Molecular Weight: 202.251
• DSSTox Substance ID: DTXSID50455026
• Nikkaji Number: J623.924B
• Wikidata: Q82276861

Synonyms:57415-99-3;Butanoic acid, [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester;DTXSID50455026;Butanoic acid (2,2-dimethyl-1,3-dioxolane-4beta-yl)methyl ester

Chemical Property of Butanoic acid, [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 202.12050905
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCC1COC(O1)(C)C
• Isomeric SMILES: CCCC(=O)OC[C@H]1COC(O1)(C)C

Technology Process of Butanoic acid, [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester

There total 3 articles about Butanoic acid, [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester 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: 38.0%

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → 1,2-O-isopropylidene-D-glycerol (14347-78-5,36543-79-0) + (S)-2,2-dimethyl-1,3-dioxolane-4-methanol butanoate (119238-14-1) + (S)-solketal butyrate (57415-99-3)

Guidance literature:

With butanoic acid anhydride; lipase AK; In di-isopropyl ether; at 0 - 1 ℃; for 25h; Yields of byproduct given;

Reference yield:

butanoic acid anhydride (106-31-0) + (R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → 1,2-O-isopropylidene-D-glycerol (14347-78-5,36543-79-0) + (S)-2,2-dimethyl-1,3-dioxolane-4-methanol butanoate (119238-14-1) + (S)-solketal butyrate (57415-99-3)

Guidance literature:

With lipase AK; In di-isopropyl ether; at 0 - 1 ℃; for 28h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

propionic acid anhydride (123-62-6) + (R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → (S)-1,2-O-isopropylidene glycerol propionate (117438-31-0,129520-29-2) + (S)-2,2-dimethyl-1,3-dioxolane-4-methanol butanoate (119238-14-1) + (S)-solketal butyrate (57415-99-3)

Guidance literature:

With lipase AK; vinyl n-butyrate; Celite; Yield given; Multistep reaction; 1.) i-Pr₂O, -50 deg C, 48 h; 2.) pyridine, overnight;

DOI:10.1016/S0040-4039(98)01747-X

upstream raw materials:

butanoic acid anhydride

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

propionic acid anhydride

Downstream raw materials:

(S)-(+)-(2,2-dimethyl-[1,3]dioxolan-4-yl)methanol

butyric acid

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