4-Phenoxythiophenol

Base Information

• Chemical Name: 4-Phenoxythiophenol
• CAS No.: 38778-05-1
• Molecular Formula: C12H10OS
• Molecular Weight: 202.277
• Hs Code.: 2930909090
• European Community (EC) Number: 675-563-4
• DSSTox Substance ID: DTXSID20375126
• Nikkaji Number: J1.928.146I
• Wikidata: Q82163660
• Mol file: 38778-05-1.mol

Synonyms:4-Phenoxythiophenol;4-phenoxybenzenethiol;38778-05-1;4-phenoxy-benzenethiol;4-phenoxybenzene-1-thiol;4-(phenoxy)thiophenol;4-phenoxy benzenethiol;p-(phenoxy)-thiophenol;SCHEMBL487535;DTXSID20375126;VUFOTXYLUWEYFC-UHFFFAOYSA-N;AB06090;FS-5820;CS-0270180;FT-0639495;EN300-673716;A824276

Chemical Property of 4-Phenoxythiophenol

Chemical Property:

• Vapor Pressure: 0.00124mmHg at 25°C
• Refractive Index: 1.622
• Boiling Point: 308.4 °C at 760 mmHg
• Flash Point: 140.3 °C
• PSA: 48.03000
• Density: 1.171g/cm³
• LogP: 3.76760
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.04523611
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

98%min ^*data from raw suppliers

4-Phenoxythiophenol ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)S

Technology Process of 4-Phenoxythiophenol

There total 14 articles about 4-Phenoxythiophenol 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: 100.0%

4-Bromodiphenyl ether (101-55-3) → 4-(Phenoxy)benzenethiol (38778-05-1)

Guidance literature:

4-Bromodiphenyl ether; With iodine; magnesium; In tetrahydrofuran; for 0.25h; Heating;

With sulfur; In tetrahydrofuran; for 3h;

In tetrahydrofuran; at 20 ℃; for 0.5h; Further stages.;

DOI:10.1021/jm9905007

Reference yield: 99.0%

S-(4-phenoxyphenyl)-N,N-dimethylthiocarbamate (198062-93-0) → 4-(Phenoxy)benzenethiol (38778-05-1)

Guidance literature:

With sodium hydroxide; In methanol; water; for 4h; Heating;

DOI:10.1021/ja001461n

Reference yield: 52.0%

4-Phenoxyphenol (831-82-3) → 4-(Phenoxy)benzenethiol (38778-05-1)

Guidance literature:

With sodium hydride; N,N-Dimethylthiocarbamoyl chloride; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

4-phenoxyphenylsulfonyl chloride

4-Bromodiphenyl ether

S-(4-phenoxyphenyl)-N,N-dimethylthiocarbamate

diphenylether

Downstream raw materials:

1-(2-nitro-phenylsulfanyl)-4-phenoxy-benzene

C₂₀H₁₈OS

3-(4-phenoxy-phenylsulfanyl)-propan-1-ol

4-(4-phenoxyphenylsulfanyl)-1-butene

Refernces

• 1、 Yevglevskis, Maksims,Nathubhai, Amit,Wadda, Katty,Lee, Guat L.,Al-Rawi, Suzanne,Jiao, Tingying,Mitchell, Paul J.,James, Tony D.,Threadgill, Michael D.,Woodman, Timothy J.,Lloyd, Matthew D.. "Novel 2-arylthiopropanoyl-CoA inhibitors of α-methylacyl-CoA racemase 1A (AMACR; P504S) as potential anti-prostate cancer agents". . . Retrieved 2019/09/18.
• 2、 -. "INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS". Page/Page column 65-66; 2/15. . Retrieved 2008/06/13.