Decyl 4-methoxybenzoate

Base Information

• Chemical Name: Decyl 4-methoxybenzoate
• CAS No.: 6974-04-5
• Molecular Formula: C18H28O3
• Molecular Weight: 292.419
• NSC Number: 23071
• DSSTox Substance ID: DTXSID20989904
• Nikkaji Number: J130.535B
• Wikidata: Q82979183
• Mol file: 6974-04-5.mol

Synonyms:Decyl 4-methoxybenzoate;6974-04-5;Benzoic acid, 4-methoxy-, decyl ester;p-Methoxybenzoic acid, decyl ester;Decyl 4-methoxybenzoate #;SCHEMBL5709943;DTXSID20989904;BENWKHCLHKJAMG-UHFFFAOYSA-N;NSC23071;NSC-23071

Chemical Property of Decyl 4-methoxybenzoate

Chemical Property:

• Vapor Pressure: 2.39E-06mmHg at 25°C
• Boiling Point: 391.8°C at 760 mmHg
• Flash Point: 165.3°C
• PSA: 35.53000
• Density: 0.975g/cm³
• LogP: 4.99270
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 292.20384475
• Heavy Atom Count: 21
• Complexity: 257

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCOC(=O)C1=CC=C(C=C1)OC

Technology Process of Decyl 4-methoxybenzoate

There total 6 articles about Decyl 4-methoxybenzoate 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: 55.0%

1-Bromoheptane (629-04-9) + 3-bromopropane-4-methoxybenzoate (23574-33-6) → n-decyl anisoate (6974-04-5)

Guidance literature:

With nickel(II) iodide; 4,5-dihydro-2-(pyridin-2-yl)-1H-imidazole; lithium methanolate; bis(pinacol)diborane; In 1-methyl-pyrrolidin-2-one; at 40 ℃; for 16h; Concentration;

DOI:10.1039/c3sc51098k

Reference yield: 50.0%

1-Bromoheptane (629-04-9) + C18H20O6S → n-decyl anisoate (6974-04-5)

Guidance literature:

With nickel(II) iodide; 4,5-dihydro-2-(pyridin-2-yl)-1H-imidazole; lithium methanolate; bis(pinacol)diborane; In 1-methyl-pyrrolidin-2-one; at 40 ℃; for 16h; Concentration;

DOI:10.1039/c3sc51098k

Reference yield: 26.0%

1-Decanol (112-30-1) + 4-methoxy-benzoyl chloride (100-07-2) → n-decyl anisoate (6974-04-5)

Guidance literature:

for 3h; Heating; in N,N-dimethylanilin;

upstream raw materials:

1-Decanol

4-methoxy-benzoyl chloride

4-methoxybenzoic acid

1-Bromoheptane

Refernces

• 1、 Leigh, William J.,Frendo, Debbie T.,Klawunn, Paul J.. "Organic reactions in liquid crystalline solvents. 1. The thermal cis-trans isomerization of a bulky olefin in cholesteric liquid crystalline solvents". . p. 2131 - 2138. Retrieved 2007/10/02.