Methyl 3-methoxybenzoate

Base Information

• Chemical Name: Methyl 3-methoxybenzoate
• CAS No.: 5368-81-0
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 29189900
• European Community (EC) Number: 226-359-5
• NSC Number: 100922
• DSSTox Substance ID: DTXSID40201918
• Nikkaji Number: J130.661H
• Wikidata: Q63392720
• ChEMBL ID: CHEMBL2252126
• Mol file: 5368-81-0.mol

Synonyms:Methyl 3-methoxybenzoate;5368-81-0;Methyl m-anisate;m-Anisic acid, methyl ester;Methyl m-methoxybenzoate;3-Methoxybenzoic acid methyl ester;Benzoic acid, 3-methoxy-, methyl ester;3-Methoxybenoic acid methyl ester;m-Methoxybenzoic acid methyl ester;MFCD00017193;m-Anisic Acid Methyl Ester;EINECS 226-359-5;NSC 100922;Mehtyl 3-methoxybenzoate;NCIOpen2_001837;SCHEMBL384913;CHEMBL2252126;Methyl 3-methoxybenzoate, 97%;3-CH3O-C6H4-COOCH3;DTXSID40201918;3-methoxy-benzoic acid methyl ester;m-Methoxybenzoic acid, methyl ester;BBL027833;NSC100922;STK095096;Methyl ester of m-Methoxybenzoic acid;AKOS003596613;CS-W001586;NSC-100922;s11984;AS-11245;SY049891;FT-0628570;EN300-263440;Q63392720;Z18352701

Chemical Property of Methyl 3-methoxybenzoate

Chemical Property:

• Vapor Pressure: 0.0198mmHg at 25°C
• Refractive Index: 1.5270
• Boiling Point: 88-90°C 1mm，252 °C at 760 mmHg
• Flash Point: 93.8 °C
• PSA: 35.53000
• Density: 1.098 g/cm³
• LogP: 1.48180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

98% ^*data from raw suppliers

Methyl 3-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-23

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(=O)OC

Technology Process of Methyl 3-methoxybenzoate

There total 77 articles about Methyl 3-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%

methyl 3-hydroxybenzoate (19438-10-9) + carbonic acid dimethyl ester (616-38-6) → methyl 3-methoxybenzoate (5368-81-0)

Guidance literature:

With dimanganese decacarbonyl; at 180 ℃; for 1h;

DOI:10.1134/S1070428015030070

Reference yield: 98.0%

3-Carboxyphenol (99-06-9) + carbonic acid dimethyl ester (616-38-6) → methyl 3-methoxybenzoate (5368-81-0)

Guidance literature:

With diiron nonacarbonyl; at 180 ℃; for 1h; Sealed tube;

DOI:10.1134/S1070363218010036

Reference yield: 96.0%

methanol (67-56-1) + 3-methoxy-benzaldehyde (591-31-1) → methyl 3-methoxybenzoate (5368-81-0)

Guidance literature:

With potassium cyanide; oxygen; at 60 ℃; for 3h; chemoselective reaction;

upstream raw materials:

methanol

m-anisoyl chloride

N,N-dimethyl-aniline

3-Methoxybenzoic acid

Downstream raw materials:

methyl 3-(3-methoxyphenyl)-3-oxopropanoate

(Z)-3-Hydroxy-1-(3-methoxy-phenyl)-5,5-bis-methylsulfanyl-penta-2,4-dien-1-one

1-(3-Methoxyphenyl)-2-(4(1H)-quinazolinylidene)ethanone

methyl 1-propyl-3-methoxylcyclohexa-2,5-diene-1-carboxylate

Refernces

• 1、 Abdel-Maksoud, Mohammed S.,Baek, Daejin,Choi, Jungseung,El-Gamal, Mohammed I.,Gamal El-Din, Mahmoud M.,Kim, Hee-Kwon,Kim, Tae-Woo,Lee, Huijeong,Lee, Hwi-Ho,Lee, Kyung-Tae,Shin, Ji-Sun. "Inhibitory effects of triarylpyrazole derivatives on LPS-induced nitric oxide and PGE2 productions in murine RAW 264.7 macrophages". . . Retrieved 2019.
• 2、 Ali, Eslam M.H.,Abdel-Maksoud, Mohammed S.,Hassan, Rasha Mohamed,Mersal, Karim I.,Ammar, Usama M.,Se-In, Choi,He-Soo, Han,Kim, Hee-Kwon,Lee, Anna,Lee, Kyung-Tae,Oh, Chang-Hyun. "Design, synthesis and anti-inflammatory activity of imidazol-5-yl pyridine derivatives as p38α/MAPK14 inhibitor". . . Retrieved 2021.
• 3、 Ali, Eslam M.H.,Abdel-Maksoud, Mohammed S.,Ammar, Usama M.,Mersal, Karim I.,Ho Yoo, Kyung,Jooryeong, Park,Oh, Chang-Hyun. "Design, synthesis, and biological evaluation of novel imidazole derivatives possessing terminal sulphonamides as potential BRAFV600E inhibitors". . . Retrieved 2021.
• 4、 Wang, Congcong,Zhang, Yu-Fang,Guo, Shimeng,Zhao, Quan,Zeng, Yanping,Xie, Zhicheng,Xie, Xin,Lu, Boxun,Hu, Youhong. "GPR52 Antagonist Reduces Huntingtin Levels and Ameliorates Huntington's Disease-Related Phenotypes". . p. 941 - 957. Retrieved 2020/11/30.