tert-Butyl (chloromethyl) succinate

Base Information

• Chemical Name: tert-Butyl (chloromethyl) succinate
• CAS No.: 432037-43-9
• Molecular Formula: C9H15 Cl O4
• Molecular Weight: 222.669
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID00595289
• Wikidata: Q72455284
• Mol file: 432037-43-9.mol

Synonyms:tert-Butyl (chloromethyl) succinate;432037-43-9;CHLOROMETHYL TERT-BUTYL SUCCINATE;4-O-tert-butyl 1-O-(chloromethyl) butanedioate;tert-butyl chloromethyl succinate;Butanedioic, 1-(chloroMethyl)-4-t-butyl ester;FD7113;SCHEMBL2822358;tert-Butyl(chloromethyl)succinate;DTXSID00595289;ZEHMWPBRDVLBMH-UHFFFAOYSA-N;AMY15344;tert-Butyl chloromethyl butanedioate;MFCD13194872;BS-28749;SY056809;DB-070416;CS-0197232;1-TERT-BUTYL 4-CHLOROMETHYL BUTANEDIOATE;A1-10064

Chemical Property of tert-Butyl (chloromethyl) succinate

Chemical Property:

• Vapor Pressure: 0.0169mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 255 ºC
• Flash Point: 93 ºC
• PSA: 52.60000
• Density: 1.139
• LogP: 1.84780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 222.0658866
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl (chloromethyl) succinate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl (chloromethyl) succinate

There total 3 articles about tert-Butyl (chloromethyl) succinate 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: 86.0%

chlorosulfuric acid chloromethyl ester (49715-04-0) + succinic acid mono-tert-butyl ester (15026-17-2) → tert-butyl (chloromethyl) succinate (432037-43-9)

Guidance literature:

succinic acid mono-tert-butyl ester; With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In dichloromethane; at 0 ℃; for 0.333333h;

chlorosulfuric acid chloromethyl ester; In dichloromethane; at 0 ℃; for 3h;

Reference yield:

succinic acid mono-tert-butyl ester (15026-17-2) → tert-butyl (chloromethyl) succinate (432037-43-9)

Guidance literature:

Reference yield:

→ tert-butyl (chloromethyl) succinate (432037-43-9)

Guidance literature:

upstream raw materials:

succinic acid mono-tert-butyl ester

chlorosulfuric acid chloromethyl ester

Refernces

• 1、 -. "Dantrolene prodrug and method for using same". Paragraph 0323-0325. . Retrieved 2020/07/15.
• 2、 -. "PI-3 KINASE INHIBITOR PRODRUGS". Page 44. . Retrieved 2010/02/09.