Propyl p-methoxybenzoate

Base Information

• Chemical Name: Propyl p-methoxybenzoate
• CAS No.: 6938-39-2
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 614-958-8
• NSC Number: 53955
• DSSTox Substance ID: DTXSID10288054
• Nikkaji Number: J104.014F
• Wikidata: Q82024321
• Mol file: 6938-39-2.mol

Synonyms:Propyl p-methoxybenzoate;Propyl 4-methoxybenzoate;6938-39-2;p-Anisic acid, propyl ester;Benzoic acid, 4-methoxy-, propyl ester;NSC 53955;n-propyl anisate;Propyl 4-methoxybenzoate #;Methyl ether of Propylparaben;SCHEMBL1988247;DTXSID10288054;p-Methoxybenzoic acid propyl ester;NSC53955;NSC-53955;AKOS008947942

Chemical Property of Propyl p-methoxybenzoate

Chemical Property:

• Vapor Pressure: 5.86E-11mmHg at 25°C
• Boiling Point: 521.1°C at 760 mmHg
• Flash Point: 189°C
• PSA: 35.53000
• Density: 1.15g/cm³
• LogP: 2.26200
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 171

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: CCCOC(=O)C1=CC=C(C=C1)OC

Technology Process of Propyl p-methoxybenzoate

There total 51 articles about Propyl p-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: 99.0%

propan-1-ol (71-23-8) + 3-(4-bromophenyl)-1-(2-((4-methoxyphenyl)ethynyl)phenyl)prop-2-yn-1-ol (1370697-28-1) → 2-(4-bromophenyl)-1,3-diiodonaphthalene (1370697-52-1) + n-propyl 4-methoxybenzoate (6938-39-2)

Guidance literature:

With Iodine monochloride; at 23 - 25 ℃; regioselective reaction;

DOI:10.1021/ol300457c

Reference yield: 95.0%

propan-1-ol (71-23-8) + 3-(4-chlorophenyl)-1-(2-((4-methoxyphenyl)ethynyl)phenyl)prop-2-yn-1-ol (1370697-25-8) → 2-(4-chlorophenyl)-1,3-diiodonaphthalene (1370697-49-6) + n-propyl 4-methoxybenzoate (6938-39-2)

Guidance literature:

With Iodine monochloride; at 23 - 25 ℃; regioselective reaction;

DOI:10.1021/ol300457c

Reference yield: 94.0%

propan-1-ol (71-23-8) + 4-methoxybenzoic acid (100-09-4) → n-propyl 4-methoxybenzoate (6938-39-2)

Guidance literature:

With silphos; at 20 ℃; for 0.166667h; Neat (no solvent);

DOI:10.1080/00397911.2011.555903

upstream raw materials:

1-methoxy-4-(propoxymethyl)benzene

propan-1-ol

(4-methoxybenzoyl)trimethylsilane

4-methoxy-benzoyl chloride

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