5-Hexenoic acid, 3-[(4-methylphenyl)sulfonyl]-6-phenyl-, (E)-

Base Information

Chemical Name:5-Hexenoic acid, 3-[(4-methylphenyl)sulfonyl]-6-phenyl-, (E)-
CAS No.:155377-32-5
Molecular Formula:C19H20O4S
Molecular Weight:344.431
Hs Code.:
DSSTox Substance ID:DTXSID901180901
Nikkaji Number:J592.158I
Mol file:155377-32-5.mol

Synonyms:DTXSID901180901;155377-32-5;5-Hexenoic acid, 3-[(4-methylphenyl)sulfonyl]-6-phenyl-, (E)-

Suppliers and Price of 5-Hexenoic acid, 3-[(4-methylphenyl)sulfonyl]-6-phenyl-, (E)-

Supply Marketing:

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

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Chemical Property of 5-Hexenoic acid, 3-[(4-methylphenyl)sulfonyl]-6-phenyl-, (E)-

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:344.10823029
Heavy Atom Count:24
Complexity:518

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)C(CC=CC2=CC=CC=C2)CC(=O)O
Isomeric SMILES:CC1=CC=C(C=C1)S(=O)(=O)C(C/C=C/C2=CC=CC=C2)CC(=O)O

Technology Process of 5-Hexenoic acid, 3-[(4-methylphenyl)sulfonyl]-6-phenyl-, (E)-

There total 2 articles about 5-Hexenoic acid, 3-[(4-methylphenyl)sulfonyl]-6-phenyl-, (E)- 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: 69.0%

: 10154-76-4
3-(toluene-4-sulfonyl)propionic acid

: 4392-24-9
Cinnamyl bromide

: 155377-32-5
(E)-6-Phenyl-3-tosyl-5-hexenoic acid

Guidance literature:: With n-butyllithium; In tetrahydrofuran; hexane; 1.) -78 deg C, 1 h, 2.) -78 deg C to r.t., overnight;
DOI:10.1021/jo00090a043

Reference yield:

: 824-79-3
sodium 4-methylbenzenesulfinate

: 155377-32-5
(E)-6-Phenyl-3-tosyl-5-hexenoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / ethanol / 24 h / Ambient temperature

2: 69 percent / n-BuLi / tetrahydrofuran; hexane / 1.) -78 deg C, 1 h, 2.) -78 deg C to r.t., overnight

With n-butyllithium; In tetrahydrofuran; ethanol; hexane;
DOI:10.1021/jo00090a043

Reference yield:

: 155377-32-5
(E)-6-Phenyl-3-tosyl-5-hexenoic acid

: 79994-37-9
Methyl (E,E)-6-phenylhexa-3,5-dienoate

Guidance literature:: Multi-step reaction with 2 steps

1: HCl / Ambient temperature

2: DBU / CH₂Cl₂ / Ambient temperature

With hydrogenchloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane;
DOI:10.1021/jo00090a043