Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester

Base Information

Chemical Name:Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester
CAS No.:115895-09-5
Molecular Formula:C26H40Cl2O5
Molecular Weight:503.49900
Hs Code.:
European Community (EC) Number:404-740-9,601-393-7
DSSTox Substance ID:DTXSID80888883
Nikkaji Number:J200.503D
Wikidata:Q82868640
Mol file:115895-09-5.mol

Synonyms:115895-09-5;Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester;Ethyl 3,5-dichloro-4-hexadecoxycarbonyloxybenzoate;Benzoic acid, 3,5-dichloro-4-(((hexadecyloxy)carbonyl)oxy)-, ethyl ester;EC 404-740-9;ethyl 3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate;SCHEMBL8328944;DTXSID80888883;DFMGMJBWBQNZNK-UHFFFAOYSA-N;NS00010055

Suppliers and Price of Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester

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 2 raw suppliers

Chemical Property of Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester

Chemical Property:

Vapor Pressure:4.46E-13mmHg at 25°C
Boiling Point:571.6oC at 760 mmHg
Flash Point:161.9oC
PSA：61.83000
Density:1.096g/cm3
LogP:9.16680
Water Solubility.:78μg/L at 20℃
XLogP3:11.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:21
Exact Mass:502.2252798
Heavy Atom Count:33
Complexity:505

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCCOC(=O)OC1=C(C=C(C=C1Cl)C(=O)OCC)Cl

Technology Process of Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester

There total 2 articles about Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl 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: 83.5%

: 26272-90-2
cetyl chloroformate

: 17302-82-8
ethyl 3,5-dichloro-4-hydroxybenzoate

: 115895-09-5
ethyl 4-hexadecyloxycarbonyloxy-3,5-dichlorobenzoate

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃; for 4h; Temperature; Autoclave; Large scale;

Reference yield:

: 120-47-8
Ethyl 4-hydroxybenzoate

: 115895-09-5
ethyl 4-hexadecyloxycarbonyloxy-3,5-dichlorobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuryl dichloride / ethyl acetate / 5 h / 40 - 100 °C / Large scale

2: triethylamine / dichloromethane / 4 h / 20 °C / Autoclave; Large scale

With sulfuryl dichloride; triethylamine; In dichloromethane; ethyl acetate;