Methyl 4-propoxybenzoate

Base Information

• Chemical Name: Methyl 4-propoxybenzoate
• CAS No.: 115478-59-6
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2918999090
• European Community (EC) Number: 601-368-0
• DSSTox Substance ID: DTXSID10342084
• Nikkaji Number: J47.338C
• Wikidata: Q63398509
• Mol file: 115478-59-6.mol

Synonyms:Methyl 4-propoxybenzoate;115478-59-6;4-propoxy-benzoic acid methyl ester;METHYL 4-N-PROPYLOXYBENZOATE;4-Propoxybenzoic acid methyl ester;Methyl4-propoxybenzoate;Methyl 4-propoxybenzoate #;SCHEMBL2341097;DTXSID10342084;STK425764;AKOS001053564;Benzoic acid,4-propyloxy, methyl ester;CS-0347283;Q63398509;Z15895067

Chemical Property of Methyl 4-propoxybenzoate

Chemical Property:

• Vapor Pressure: 0.00317mmHg at 25°C
• Refractive Index: 1.497
• Boiling Point: 283.4°C at 760 mmHg
• Flash Point: 114°C
• PSA: 35.53000
• Density: 1.053g/cm³
• LogP: 2.26200
• XLogP3: 3.2
• 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:

97% ^*data from raw suppliers

4-Propoxy-benzoic acid methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-propoxybenzoate

There total 9 articles about Methyl 4-propoxybenzoate 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: 96.52%

propyl bromide (106-94-5) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → methyl 4-propoxy benzoate (115478-59-6)

Guidance literature:

With potassium carbonate; In butanone; at 78 - 80 ℃; for 2h;

DOI:10.14233/ajchem.2018.20912

Reference yield: 25.0%

methyl 4-(3-bromopropoxyl)benzoate (135998-88-8) → methyl 4-propoxy benzoate (115478-59-6) + 4-(3-hydroxy-propyl)-benzoic acid methyl ester (15403-22-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 1h; Heating;

DOI:10.1016/S0040-4039(00)77609-X

Reference yield:

4-hydroxy-benzoic acid (99-96-7) → methyl 4-propoxy benzoate (115478-59-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 1 h / Reflux

2: potassium hydroxide / methanol / Reflux

With sulfuric acid; potassium hydroxide; In methanol;

DOI:10.1080/15421406.2017.1393167

upstream raw materials:

4-propoxybenzoic acid

1-iodo-propane

methyl 4-hydroxylbenzoate

methyl 4-(3-bromopropoxyl)benzoate

Downstream raw materials:

4-propoxybenzoic acid

4-propoxy-benzoic acid hydrazide

methyl 3-nitro-4-propoxybenzoate

3-acetyl-5-(4-n-propoxyphenyl)-2-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole

Refernces

• 1、 Kashyap, Dinesh,Patel, Sunil,Prajapat, Varsha,Sharma, Vinay,Vasava, Dilip. "“Effect of the linking unit on the calamitic-shaped liquid crystal: a comparative study of two homologous series of benzoate and cinnamate linked compounds”". . p. 58 - 70. Retrieved 2019/08/28.
• 2、 Periyasamy, Senthil,Subbiah, Selvaraj. "Green and simple synthesis of p-anisic acid and other analogs from methyl paraben". . p. 85 - 88. Retrieved 2017/12/26.