Chloromethyl 3,3-dimethylbutanoate

Base Information

• Chemical Name: Chloromethyl 3,3-dimethylbutanoate
• CAS No.: 114670-75-6
• Molecular Formula: C7H13ClO2
• Molecular Weight: 164.63000
• European Community (EC) Number: 871-620-4
• DSSTox Substance ID: DTXSID10560600
• Nikkaji Number: J1.837.673C
• Wikidata: Q82444044
• Mol file: 114670-75-6.mol

Synonyms:chloromethyl 3,3-dimethylbutanoate;114670-75-6;Butanoic acid, 3,3-dimethyl-, chloromethyl ester;SCHEMBL697173;chloromethyl3,3-dimethylbutanoate;DTXSID10560600;BS-52579;E85535;EN300-375312

Chemical Property of Chloromethyl 3,3-dimethylbutanoate

Chemical Property:

• PSA: 26.30000
• LogP: 2.16210
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.0604073
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Chloromethyl3,3-dimethylbutanoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(=O)OCCl

Technology Process of Chloromethyl 3,3-dimethylbutanoate

There total 2 articles about Chloromethyl 3,3-dimethylbutanoate 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: 91.0%

chlorosulfuric acid chloromethyl ester (49715-04-0) + tert-Butylacetic acid (1070-83-3) → chloromethyl 3,3-dimethylbutanoate (114670-75-6)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; water; at 0 - 20 ℃; for 16h;

Reference yield:

→ chloromethyl 3,3-dimethylbutanoate (114670-75-6)

Guidance literature:

upstream raw materials:

chlorosulfuric acid chloromethyl ester

tert-Butylacetic acid

Refernces

• 1、 -. "SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS". Page/Page column 93. . Retrieved 2012/10/18.