(S)-Ethyl 2-methylbutanoate

Base Information

• Chemical Name: (S)-Ethyl 2-methylbutanoate
• CAS No.: 10307-61-6
• Molecular Formula: C7H14 O2
• Molecular Weight: 130.187
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID101017671
• Nikkaji Number: J57.322A
• Mol file: 10307-61-6.mol

Synonyms:10307-61-6;(S)-Ethyl 2-methylbutanoate;ethyl (2S)-2-methylbutanoate;ethyl (s)-2-methylbutanoate;D-ethyl 2-methylbutyrate;starbld0007599;SCHEMBL280605;(S)-2-Methylbutanoic acid ethyl;(S)-(+)-ethyl 2-methylbutyrate;DTXSID101017671;(2S)-2-Methyl-butanoic Acid Ethyl Ester

Chemical Property of (S)-Ethyl 2-methylbutanoate

Chemical Property:

• Vapor Pressure: 7.85mmHg at 25°C
• Melting Point: -93.23°C (estimate)
• Refractive Index: 1.3964
• Boiling Point: 135.1°C at 760 mmHg
• Flash Point: 33.4°C
• PSA: 26.30000
• Density: 0.879g/cm³
• LogP: 1.59560
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 88.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2S)-2-Methyl-butanoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-Ethyl 2-methylbutanoate

There total 10 articles about (S)-Ethyl 2-methylbutanoate 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: 80.0%

C22H25N2O3Pol + sodium ethanolate (141-52-6) → ethyl (S)-(+)-2-methylbutanoate (10307-61-6,53956-13-1)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 11h; non-cross-linked polystyrene

DOI:10.1007/s10600-012-0401-3

Reference yield: 64.0%

ethanol (64-17-5) + (S)-2-Methylbutyric acid (1730-91-2) → ethyl (S)-(+)-2-methylbutanoate (10307-61-6,53956-13-1)

Guidance literature:

With sulfuric acid; at 0 ℃; Inert atmosphere; Molecular sieve; Reflux;

DOI:10.1002/jhet.3845

Reference yield:

ethanol (64-17-5) + 2-((S)-1,2,2-trimethyl-3-cyclopentenyl)-2-oxoethyl (S)-2-methylbutyrate → ethyl (S)-(+)-2-methylbutanoate (10307-61-6,53956-13-1) + (S)-hydroxymethyl 1,2,2-trimethyl-3-cyclopentenyl ketone

Guidance literature:

With potassium hydroxide; at 60 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.tetlet.2020.151802

upstream raw materials:

bis-((S)-2-methyl-butyryl)-peroxide

Benzotrichlorid

Ethyl tiglate

Tiglic acid

Downstream raw materials:

(+/-)-2-methyl-1-butanol