Methyl 2-propoxybenzoate

Base Information

• Chemical Name: Methyl 2-propoxybenzoate
• CAS No.: 18167-33-4
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 605-941-6
• DSSTox Substance ID: DTXSID00454640
• Nikkaji Number: J520.270A
• Wikidata: Q82276285
• Mol file: 18167-33-4.mol

Synonyms:Methyl 2-propoxybenzoate;18167-33-4;METHYL 2-N-PROPYLOXYBENZOATE;BENZOIC ACID, 2-PROPOXY-, METHYL ESTER;methyl 2-(propyloxy)benzoate;SCHEMBL536427;DTXSID00454640;2-Propoxybenzoic acid methyl ester;Benzoic acid, 2-propyloxy-, methyl ester;FT-0736768

Chemical Property of Methyl 2-propoxybenzoate

Chemical Property:

• Vapor Pressure: 0.005mmHg at 25°C
• Refractive Index: 1.497
• Boiling Point: 275.531°C at 760 mmHg
• Flash Point: 110.331°C
• PSA: 35.53000
• Density: 1.054g/cm³
• LogP: 2.26200
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-propoxybenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=CC=C1C(=O)OC

Technology Process of Methyl 2-propoxybenzoate

There total 7 articles about Methyl 2-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: 96.0%

tert.-butylhydroperoxide (75-91-2) + 2-propoxybenzoic acid (2100-31-4) → methyl-2-propoxybenzoic acid (18167-33-4)

Guidance literature:

tert.-butylhydroperoxide; 2-propoxybenzoic acid; In water; dimethyl sulfoxide;

In water; dimethyl sulfoxide; at 100 ℃; for 20h; Sealed tube;

DOI:10.1016/j.jcat.2020.05.032

Reference yield: 78.33%

1-iodo-propane (107-08-4) + methyl salicylate (119-36-8,8024-54-2) → methyl-2-propoxybenzoic acid (18167-33-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

Reference yield: 75.0%

tetrapropoxysilane (682-01-9) + o-iodo-methyl-benzoic acid (610-97-9) → methyl-2-propoxybenzoic acid (18167-33-4)

Guidance literature:

With oxygen; copper diacetate; caesium carbonate; In N,N-dimethyl-formamide; at 145 ℃; for 18h; under 760.051 Torr;

DOI:10.1039/c9nj01777a

upstream raw materials:

1-iodo-propane

methyl salicylate

2-(3-bromo-propoxy)-benzoic acid methyl ester

propyl bromide

Downstream raw materials:

5,6-Dihydro-2-(2-propoxyphenyl)-4H-naphtho<1,2-b>pyran-4-one

C₁₄H₁₈N₄O

C₁₂H₁₅N₃O

3-benzyl-6-[4-(4-methyl-piperazine-1-sulfonyl)-2-propoxy-benzoylamino]-3H-benzoimidazole-5-carboxylic acid amide

Refernces

• 1、 Ahmed, Muhammad Naeem,Ahmad, Khalil,Yasin, Khawaja Ansar,Farooq, Tayyaba,Khan, Bilal Ahmad,Roy, Soumendra K.. "Ligand-free Cu(ii)-catalyzed aerobic etherification of aryl halides with silanes: An experimental and theoretical approach". . p. 11316 - 11333. Retrieved 2019/07/31.
• 2、 Rotella, David P.,Sun, Zhong,Zhu, Yeheng,Krupinski, John,Pongrac, Ronald,Seliger, Laurie,Normandin, Diane,Macor, John E.. "N-3-substituted imidazoquinazolinones: Potent and selective PDE5 inhibitors as potential agents for treatment of erectile dysfunction". . p. 1257 - 1263. Retrieved 2007/10/03.