Chloromethyl 2-ethylbutanoate

Base Information

• Chemical Name: Chloromethyl 2-ethylbutanoate
• CAS No.: 40930-71-0
• Molecular Formula: C7H13ClO2
• Molecular Weight: 164.63000
• Hs Code.: 2915900090
• European Community (EC) Number: 689-682-4
• Mol file: 40930-71-0.mol

Synonyms:chloromethyl 2-ethylbutanoate;40930-71-0;chloromethyl 2-ethylbutyrate;2-ethylbutyric acid chloromethyl ester;Butanoic acid, 2-ethyl-, chloromethyl ester;chloromethyl2-ethylbutanoate;SCHEMBL3090549;AAACXXOAKLEEOX-UHFFFAOYSA-N;AMY39888;Chloromethyl 2-ethylbutyrate, 95%;MFCD19232744;AKOS006384493;2-Ethyl butyric acid chloromethyl ester;AS-59281;CS-0199127;D93086;EN300-375315

Chemical Property of Chloromethyl 2-ethylbutanoate

Chemical Property:

• Refractive Index: n20/D1.427
• Boiling Point: 172.7±13.0 °C(Predicted)
• Flash Point: 63℃
• PSA: 26.30000
• Density: 1.031 g/mL at 25 °C
• LogP: 2.16210
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 164.0604073
• Heavy Atom Count: 10
• Complexity: 99.8

Purity/Quality:

99% ^*data from raw suppliers

Chloromethyl 2-ethylbutyrate 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 21-22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(=O)OCCl

Technology Process of Chloromethyl 2-ethylbutanoate

There total 2 articles about Chloromethyl 2-ethylbutanoate 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: 77.5%

→ 2-ethylbutanoyl oxymethyl chloride (40930-71-0)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate; In dichloromethane; at 0 - 20 ℃;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + chlorure d'acide ethyl-2 butyrique (2736-40-5) → 2-ethylbutanoyl oxymethyl chloride (40930-71-0)

Guidance literature:

With zinc(II) chloride; at 20 - 50 ℃; for 18h;

Reference yield:

3-[2-(3,3-difluoro-butyrylamino)-2-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl)ethyl]-2-methoxybenzoic acid + 2-ethylbutanoyl oxymethyl chloride (40930-71-0) → 3-[2-(3,3-difluorobutyrylamino)-2-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl)ethyl]-2-methoxybenzoic acid 2-ethylbutyryloxymethyl ester

Guidance literature:

With cesium fluoride; sodium iodide; In N,N-dimethyl-formamide; at 20 ℃; for 17h; Inert atmosphere;

upstream raw materials:

formaldehyd

chlorure d'acide ethyl-2 butyrique

Downstream raw materials:

6β-((R)-2-amino-2-phenyl-acetylamino)-penicillanic acid 2-ethyl-butyryloxymethyl ester

Refernces

• 1、 -. "PENEM PRODRUGS". Page/Page column 17-18. . Retrieved 2008/06/13.