3-(4-Cyanophenoxy)propyl 4-methylbenzene-1-sulfonate

Base Information

Chemical Name:3-(4-Cyanophenoxy)propyl 4-methylbenzene-1-sulfonate
CAS No.:147749-98-2
Molecular Formula:C17H17NO4S
Molecular Weight:331.392
Hs Code.:
DSSTox Substance ID:DTXSID70568622
Wikidata:Q82454929
Mol file:147749-98-2.mol

Synonyms:147749-98-2;3-(4-Cyanophenoxy)propyl 4-methylbenzene-1-sulfonate;SCHEMBL1619467;DTXSID70568622

Suppliers and Price of 3-(4-Cyanophenoxy)propyl 4-methylbenzene-1-sulfonate

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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Total 1 raw suppliers

Chemical Property of 3-(4-Cyanophenoxy)propyl 4-methylbenzene-1-sulfonate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:331.08782920
Heavy Atom Count:23
Complexity:488

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=CC=C(C=C2)C#N

Technology Process of 3-(4-Cyanophenoxy)propyl 4-methylbenzene-1-sulfonate

There total 2 articles about 3-(4-Cyanophenoxy)propyl 4-methylbenzene-1-sulfonate 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: 82.0%

: 147749-97-1
4-(3-hydroxypropoxy)benzonitrile

: 98-59-9
p-toluenesulfonyl chloride

: 147749-98-2
3-(4-cyanophenoxypropyl) 4-methylbenzenesulfonate

Guidance literature:: With trimethylamine hydrochloride; triethylamine; In 4-methyl-2-pentanone; at -15 - 20 ℃; for 21h; Product distribution / selectivity;

Reference yield: 82.0%

: 98-59-9
p-toluenesulfonyl chloride

: 147749-98-2
3-(4-cyanophenoxypropyl) 4-methylbenzenesulfonate

Guidance literature:: 4-(3-hydroxypropoxy)benzonitrile; With trimethylamine hydrochloride; triethylamine; In 4-methyl-2-pentanone; at -15 ℃;

p-toluenesulfonyl chloride; In 4-methyl-2-pentanone; at -10 - 20 ℃; for 21h; Product distribution / selectivity;

Reference yield: 88.0%

: 147749-98-2
3-(4-cyanophenoxypropyl) 4-methylbenzenesulfonate

: 202191-53-5
toluene-4-sulfonic acid 3-(4-formyl-phenoxy)-propyl ester

Guidance literature:: With sodium hydride; zinc(II) chloride; In tetrahydrofuran; mineral oil; at 40 ℃; for 3h; Inert atmosphere; Sealed tube;
DOI:10.1055/s-0039-1690838