Ethyl 2-methoxybenzoate

Base Information

• Chemical Name: Ethyl 2-methoxybenzoate
• CAS No.: 7335-26-4
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• European Community (EC) Number: 230-843-1,670-271-3
• UNII: 1OB313918P
• DSSTox Substance ID: DTXSID9047126
• Nikkaji Number: J110.026B
• Wikidata: Q27252685
• Metabolomics Workbench ID: 130620
• ChEMBL ID: CHEMBL3183817
• Mol file: 7335-26-4.mol

Synonyms:Ethyl 2-methoxybenzoate;7335-26-4;Ethyl o-anisate;2-Methoxybenzoic acid ethyl ester;Benzoic acid, 2-methoxy-, ethyl ester;Ethyl o-methoxybenzoate;Ethyl ortho-anisate;o-Anisic acid, ethyl ester;2-methoxy-benzoic acid ethyl ester;DTXSID9047126;UNII-1OB313918P;EINECS 230-843-1;1OB313918P;AI3-30234;ethyl o - anisate;ethyl-2-methoxy benzoate;ETHYLMETHOXY SALICYLATE;SCHEMBL873499;CHEMBL3183817;DTXCID7027126;o-Methoxybenzoic acid, ethyl ester;Ethyl 2-methoxybenzoate, AldrichCPR;Tox21_302680;MFCD00015148;AKOS008947856;GS-6891;ETHYLMETHOXY SALICYLATE [WHO-DD];NCGC00256713-01;CAS-7335-26-4;CS-0100631;FT-0612821;H10032;Q27252685

Chemical Property of Ethyl 2-methoxybenzoate

Chemical Property:

• Vapor Pressure: 0.0139mmHg at 25°C
• Refractive Index: 1.5210
• Boiling Point: 127-128°C 11mm
• Flash Point: 127-128°C/11mm
• PSA: 35.53000
• Density: 1.112
• LogP: 1.87190
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl2-methoxybenzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1OC

Technology Process of Ethyl 2-methoxybenzoate

There total 30 articles about Ethyl 2-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: 97.0%

ethanol (64-17-5) + 2-methoxybenzoic acid methyl ester (606-45-1) → ethyl 2-methoxybenzoate (7335-26-4)

Guidance literature:

With platinum(IV) oxide; hydrogen; at 60 ℃; for 16h; under 750.075 - 1500.15 Torr; chemoselective reaction; Autoclave; Green chemistry;

DOI:10.1039/c8gc00500a

Reference yield: 95.0%

ethanol (64-17-5) + 4-iodoanisol (529-28-2) + carbon monoxide (201230-82-2) → ethyl 2-methoxybenzoate (7335-26-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium diacetate; at 20 - 125 ℃; for 0.333333h; under 7500.75 - 22502.3 Torr; microwave irradiation;

DOI:10.1039/b614025d

Reference yield: 92.0%

2-methoxyphenyl 4-fluorobenzenesulfonate (723759-22-6) + ethanol (64-17-5) + carbon monoxide (201230-82-2) → ethyl 2-methoxybenzoate (7335-26-4)

Guidance literature:

With Josiphos Et₂P-Fc-PtBu₂ ligand; sodium acetate; palladium diacetate; at 130 - 135 ℃; for 20h; under 2068.59 Torr;

DOI:10.1021/ol062208g

upstream raw materials:

ethanol

2-Methoxybenzoic acid

2-Methoxybenzoyl chloride

2-hydroxy-benzoic acid ethyl ester

Downstream raw materials:

3-(2-methoxy-phenyl)-3-oxo-2-phenyl-propionitrile

3-(2-methoxy-phenyl)-3-oxo-propionic acid ethyl ester

1-(2-methoxyphenyl)-3-phenylpropane-1,3-dione

2-(2-methoxyphenyl)propene

Refernces

• 1、 Vanjare, Balasaheb D.,Choi, Nam Gyu,Mahajan, Prasad G.,Raza, Hussain,Hassan, Mubashir,Han, Yohan,Yu, Seon-Mi,Kim, Song Ja,Seo, Sung-Yum,Lee, Ki Hwan. "Novel 1,3,4-oxadiazole compounds inhibit the tyrosinase and melanin level: Synthesis, in-vitro, and in-silico studies". . . Retrieved 2021/06/07.
• 2、 Cheng, Wanqing,Fan, Jiangping,Guo, Yong,Han, Meiyue,Ma, Nannan,Yan, Xiaoting,Yang, Ruige. "Development of Novel (+)-Nootkatone Thioethers Containing 1,3,4-Oxadiazole/Thiadiazole Moieties as Insecticide Candidates against Three Species of Insect Pests". . p. 15544 - 15553. Retrieved 2022/01/03.