(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl butyrate

Base Information

• Chemical Name: (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl butyrate
• CAS No.: 92418-59-2
• Molecular Formula: C10H18O4
• Molecular Weight: 202.251
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40542257
• Nikkaji Number: J566.339C
• Mol file: 92418-59-2.mol

Synonyms:(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl butyrate;92418-59-2;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl butanoate;(2,2-dimethyl-1,3-dioxolane-4-yl)methyl n-butanoate;SCHEMBL2297204;JMMOQNCIYAMRDB-UHFFFAOYSA-;DTXSID40542257;JMMOQNCIYAMRDB-UHFFFAOYSA-N;MFCD00882270;AKOS017343230;F88148;(2,2-Dimethyl-1,3-dioxolan-4-yl)methylbutyrate;A860090;InChI=1/C10H18O4/c1-4-5-9(11)12-6-8-7-13-10(2,3)14-8/h8H,4-7H2,1-3H3

Chemical Property of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl butyrate

Chemical Property:

• PSA: 44.76000
• LogP: 1.48120
• Storage Temp.: 2-8°C
• 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:

97% ^*data from raw suppliers

(2,2-Dimethyl-1,3-dioxolan-4-yl)methylbutyrate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(=O)OCC1COC(O1)(C)C

Technology Process of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl butyrate

There total 5 articles about (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl butyrate 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: 99.0%

vinyl n-butyrate (123-20-6,24991-31-9) + (R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → (2,2-dimethyl-1,3-dioxolane-4-yl)methyl n-butanoate (92418-59-2)

Guidance literature:

With Lipozyme RMIM; In di-isopropyl ether; at 20 ℃; for 2h; Reagent/catalyst;

DOI:10.2174/157017861101140113155507

Reference yield: 91.0%

butanoic acid anhydride (106-31-0) + (R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → (2,2-dimethyl-1,3-dioxolane-4-yl)methyl n-butanoate (92418-59-2)

Guidance literature:

With dmap; sodium carbonate; In ethyl acetate;

DOI:10.1002/(SICI)1521-3765(19981102)4:11<2324::AID-CHEM2324>3.0.CO;2-I

Reference yield:

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → (2,2-dimethyl-1,3-dioxolane-4-yl)methyl n-butanoate (92418-59-2)

Guidance literature:

With pyridine; at 20 ℃; for 24h;

DOI:10.1016/j.tetasy.2004.09.033

upstream raw materials:

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

butanoic acid anhydride

vinyl n-butyrate

Downstream raw materials:

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

1,2-O-isopropylidene-D-glycerol

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

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

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