Benzoic acid (S)-1-ethenylhexyl ester

Base Information

Chemical Name:Benzoic acid (S)-1-ethenylhexyl ester
CAS No.:191109-68-9
Molecular Formula:C₁₅H₂₀O₂
Molecular Weight:232.323
Hs Code.:
DSSTox Substance ID:DTXSID301304274
Nikkaji Number:J3.410.217A

Synonyms:DTXSID301304274;Benzoic acid (S)-1-ethenylhexyl ester;1-Octen-3-ol, 3-benzoate, (3S)-;191109-68-9

Suppliers and Price of Benzoic acid (S)-1-ethenylhexyl ester

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Benzoic acid (S)-1-ethenylhexyl ester

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:232.146329876
Heavy Atom Count:17
Complexity:229

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCC(C=C)OC(=O)C1=CC=CC=C1
Isomeric SMILES:CCCCC[C@@H](C=C)OC(=O)C1=CC=CC=C1

Technology Process of Benzoic acid (S)-1-ethenylhexyl ester

There total 7 articles about Benzoic acid (S)-1-ethenylhexyl ester 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: 13.0%

: 614-45-9
tert-Butyl peroxybenzoate

: 111-66-0,25068-25-1
oct-1-ene

: 191109-68-9
(S)-oct-1-en-3-yl benzoate

: (R)-1-octen-3-yl benzoate

Guidance literature:: With copper(I) triflate; In acetonitrile; at 5 ℃; for 120h; Product distribution; other reag., other solvent, temp.;
DOI:10.1016/0040-4039(95)00444-H

Reference yield:

: 614-45-9
tert-Butyl peroxybenzoate

: 111-66-0,25068-25-1
oct-1-ene

: Benzoic acid (E)-oct-2-enyl ester

: 191109-68-9
(S)-oct-1-en-3-yl benzoate

: (R)-1-octen-3-yl benzoate

Guidance literature:: With copper(II) bis(trifluoromethanesulfonate); phenylhydrazine; 2,6-bis<5',5'-diphenyl-4'-(S)-isopropyl oxazolin-2'-yl>pyridine; In acetone; at 25 ℃; for 336h;
DOI:10.1016/j.tet.2006.01.093

Reference yield:

: 629-05-0
n-octyne

: 65-85-0,8013-63-6
benzoic acid

: 107820-40-6
benzoic acid 1-hexylvinyl ester

: 191109-68-9
(S)-oct-1-en-3-yl benzoate

Guidance literature:: With chloro(1,5-cyclooctadiene)rhodium(I) dimer; (R,R)-Cy-DIOP; caesium carbonate; In 1,2-dichloro-ethane; at 20 ℃; for 24h; Overall yield = 83 %; Inert atmosphere; Schlenk technique;
DOI:10.1021/jacs.5b01131