Methyl 2-ethylbutyrate

Base Information

• Chemical Name: Methyl 2-ethylbutyrate
• CAS No.: 816-11-5
• Molecular Formula: C7H14 O2
• Molecular Weight: 130.187
• European Community (EC) Number: 212-428-7
• NSC Number: 509555
• UNII: TN25L56YL2
• DSSTox Substance ID: DTXSID40231215
• Nikkaji Number: J144.103E
• Wikidata: Q63395261
• Mol file: 816-11-5.mol

Synonyms:Methyl 2-ethylbutanoate;Methyl 2-ethylbutyrate;816-11-5;Butanoic acid, 2-ethyl-, methyl ester;2-ethyl-butyric acid methyl ester;Butyric acid, 2-ethyl-, methyl ester;2-ethylbutanoic acid methyl ester;EINECS 212-428-7;NSC-509555;2-ethylbutyric acid methyl ester;Methyl2-ethylbutanoate;SCHEMBL184812;TN25L56YL2;DTXSID40231215;2-Ethylbutyric acid, methyl ester;MFCD00225587;NSC509555;AKOS009513280;CM-0016;NSC 509555;CS-0161292;E76971;A841597;Q63395261

Chemical Property of Methyl 2-ethylbutyrate

Chemical Property:

• Vapor Pressure: 7.85mmHg at 25°C
• Melting Point: -71°C (estimate)
• Refractive Index: 1.4067
• 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: 84.9

Purity/Quality:

99%, ^*data from raw suppliers

Methyl2-ethylbutanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(=O)OC

Technology Process of Methyl 2-ethylbutyrate

There total 13 articles about Methyl 2-ethylbutyrate 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: 95.0%

methanol (67-56-1) + 2-Ethylbutanoic acid (88-09-5) → 2-ethyl-butyric acid methyl ester (816-11-5)

Guidance literature:

With sulfuric acid;

Reference yield: 93.0%

diethylmalonic acid dimethyl ester (27132-23-6) → 2-ethyl-butyric acid methyl ester (816-11-5)

Guidance literature:

With benzoic acid; tetrabutyl phosphonium bromide; at 200 ℃; for 16h;

DOI:10.1055/s-1985-31197

Reference yield: 92.0%

bromo-2 ethyl-2 butyrate d'methyle (2399-18-0) → 2-ethyl-butyric acid methyl ester (816-11-5)

Guidance literature:

With water; lithium diisopropyl amide; In tetrahydrofuran; 1) -78 deg C, 30 min 2) 30 min;

upstream raw materials:

methanol

2-Ethylbutanoic acid

2,2-diethyl-acetoacetic acid methyl ester

butanoic acid methyl ester

Downstream raw materials:

methyl 2-ethyl-2-methylbutyrate

3-(1-ethyl-1-methylpropyl)isoxazolin-5-one

2-Benzylsulfanylmethyl-2-ethyl-butyryl chloride

2-benzylthiomethyl-2-ethylbutanoic acid

Refernces

• 1、 Deng, Xiao-Jun,Liu, Hui-Xia,Zhang, Lu-Wen,Zhang, Guan-Yu,Yu, Zhi-Xiang,He, Wei. "Iodoarene-Catalyzed Oxyamination of Unactivated Alkenes to Synthesize 5-Imino-2-Tetrahydrofuranyl Methanamine Derivatives". . p. 235 - 253. Retrieved 2021/01/09.
• 2、 Deng, Xiaojun,Zhang, Luwen,Liu, Huixia,Bai, Yu,He, Wei. "mCPBA-mediated dioxygenation of unactivated alkenes for the synthesis of 5-imino-2-tetrahydrofuranyl methanol derivatives". supporting information. . Retrieved 2020/11/24.