Ethyl 4-[4-(chloromethyl)phenyl]butanoate

Base Information

Chemical Name:Ethyl 4-[4-(chloromethyl)phenyl]butanoate
CAS No.:64507-10-4
Molecular Formula:C13H17 Cl O2
Molecular Weight:240.73
Hs Code.:2916399090
DSSTox Substance ID:DTXSID70604877
Wikidata:Q82502942
Mol file:64507-10-4.mol

Synonyms:Ethyl 4-[4-(chloromethyl)phenyl]butanoate;64507-10-4;SCHEMBL1417640;DTXSID70604877

Suppliers and Price of Ethyl 4-[4-(chloromethyl)phenyl]butanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Ethyl 4-[4-(chloromethyl)phenyl]butanoate

Chemical Property:

PSA：26.30000
LogP:3.31120
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:240.0917075
Heavy Atom Count:16
Complexity:198

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CCCC1=CC=C(C=C1)CCl

Technology Process of Ethyl 4-[4-(chloromethyl)phenyl]butanoate

There total 5 articles about Ethyl 4-[4-(chloromethyl)phenyl]butanoate 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: 41.0%

: 1072448-29-3
4-(4-hydroxymethyl-phenyl)-butyric acid ethyl ester

: 64507-10-4
ethyl 4-(4-[chloromethyl]phenyl)butanoate

Guidance literature:: With thionyl chloride; In dichloromethane; at 0 ℃;
DOI:10.1021/acsmedchemlett.8b00551

Reference yield:

: 1821-12-1
4-Phenylbutyric acid

: 64507-10-4
ethyl 4-(4-[chloromethyl]phenyl)butanoate

Guidance literature:: Multi-step reaction with 4 steps

1: sulfuric acid / Reflux

2: trifluoroacetic acid / 100 °C

3: sodium tetrahydroborate / 0 - 20 °C

4: thionyl chloride / dichloromethane / 0 °C

With sodium tetrahydroborate; thionyl chloride; sulfuric acid; trifluoroacetic acid; In dichloromethane; 2: |Duff Aldehyde Synthesis;
DOI:10.1021/acsmedchemlett.8b00551

Reference yield:

: 10031-93-3
ethyl 4-phenylbutyrate

: 64507-10-4
ethyl 4-(4-[chloromethyl]phenyl)butanoate

Guidance literature:: Multi-step reaction with 3 steps

1: trifluoroacetic acid / 100 °C

2: sodium tetrahydroborate / 0 - 20 °C

3: thionyl chloride / dichloromethane / 0 °C

With sodium tetrahydroborate; thionyl chloride; trifluoroacetic acid; In dichloromethane; 1: |Duff Aldehyde Synthesis;
DOI:10.1021/acsmedchemlett.8b00551