Ethyl (+-)-2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methylbutanoate

Base Information

• Chemical Name: Ethyl (+-)-2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methylbutanoate
• CAS No.: 71547-92-7
• Molecular Formula: C20H23ClO3S
• Molecular Weight: 378.9128
• DSSTox Substance ID: DTXSID70992044

Synonyms:Sgd 8-75;BRN 3005109;Ethyl (+-)-2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methylbutanoate;Butanoic acid, 2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methyl-, ethyl ester, (+-)-;71547-92-7;C20H23ClO3S;C20-H23-Cl-O3-S;DTXSID70992044;LS-46195;Ethyl 2-(4-{[(4-chlorophenyl)methyl]sulfanyl}phenoxy)-2-methylbutanoate

Chemical Property of Ethyl (+-)-2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methylbutanoate

Chemical Property:

• Vapor Pressure: 2.11E-09mmHg at 25°C
• Boiling Point: 480.7°C at 760 mmHg
• Flash Point: 244.5°C
• Density: 1.2g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 378.1056435
• Heavy Atom Count: 25
• Complexity: 404

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C(=O)OCC)OC1=CC=C(C=C1)SCC2=CC=C(C=C2)Cl

Technology Process of Ethyl (+-)-2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methylbutanoate

There total 1 articles about Ethyl (+-)-2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methylbutanoate 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:

ethanol (64-17-5) + chloroform (67-66-3,8013-54-5) + 4-(4-chloro-benzylsulfanyl)-phenol (83582-88-1) + butanone (78-93-3) → 2-[4-(4-Chloro-benzylsulfanyl)-phenoxy]-2-methyl-butyric acid ethyl ester (71547-92-7)

Guidance literature:

Multistep reaction; (i) KOH, (ii) /BRN= 1731042/, (iii) /BRN= 1718733/, H₂SO₄, benzene;

upstream raw materials:

ethanol

chloroform

4-(4-chloro-benzylsulfanyl)-phenol

butanone

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