Undecyl 4-chlorobenzoate

Base Information

Chemical Name:Undecyl 4-chlorobenzoate
CAS No.:5458-41-3
Molecular Formula:C18H27ClO2
Molecular Weight:310.86
Hs Code.:
NSC Number:23557
DSSTox Substance ID:DTXSID20281955
Wikidata:Q82016090
Mol file:5458-41-3.mol

Synonyms:Undecyl 4-chlorobenzoate;5458-41-3;4-Chlorobenzoic acid, undecyl ester;4-Chlorobenzoic acid,undecyl ester;Undecyl 4-chlorobenzoate #;DTXSID20281955;MEWVVEWZGJOCOB-UHFFFAOYSA-N;NSC23557;NSC-23557

Suppliers and Price of Undecyl 4-chlorobenzoate

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
Packaging
price

Total 6 raw suppliers

Chemical Property of Undecyl 4-chlorobenzoate

Chemical Property:

Vapor Pressure:3.66E-06mmHg at 25°C
Boiling Point:386°Cat760mmHg
Flash Point:186.7°C
PSA：26.30000
Density:1.021g/cm³
LogP:6.02760
XLogP3:8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:310.1699578
Heavy Atom Count:21
Complexity:260

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCOC(=O)C1=CC=C(C=C1)Cl

Technology Process of Undecyl 4-chlorobenzoate

There total 2 articles about Undecyl 4-chlorobenzoate 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: 81.0%

: 112-42-5
undecyl alcohol

: 25436-27-5
trimethylsilyl p-chlorobenzoate

: 5458-41-3
C₁₈H₂₇ClO₂

Guidance literature:: With trifluorormethanesulfonic acid; In toluene; at 80 ℃; for 8h;
DOI:10.1055/a-1654-2211

Reference yield:

: 74-11-3
para-chlorobenzoic acid

: 5458-41-3
C₁₈H₂₇ClO₂

Guidance literature:: Multi-step reaction with 2 steps

1: 1,1,1,3,3,3-hexamethyl-disilazane / 20 °C

2: trifluorormethanesulfonic acid / toluene / 8 h / 80 °C

With trifluorormethanesulfonic acid; 1,1,1,3,3,3-hexamethyl-disilazane; In toluene;
DOI:10.1055/a-1654-2211