3-(methoxymethyl)benzoic Acid

Base Information

• Chemical Name: 3-(methoxymethyl)benzoic Acid
• CAS No.: 32194-76-6
• Molecular Formula: C9H10 O3
• Molecular Weight: 166.177
• Hs Code.: 2918990090
• European Community (EC) Number: 894-952-1
• DSSTox Substance ID: DTXSID60407071
• Wikidata: Q82212301
• Mol file: 32194-76-6.mol

Synonyms:3-(methoxymethyl)benzoic Acid;32194-76-6;3-Methoxymethyl-benzoic acid;SCHEMBL565902;3-(Methoxymethyl)-benzoic acid;DTXSID60407071;ZPBMOTGPFVLBMN-UHFFFAOYSA-N;MFCD01871355;AKOS000101808;NCGC00342677-01;AM803691;TS-02233;3-(methoxymethyl)benzoic acid, AldrichCPR;BB 0257988;CS-0117171;FT-0681608;EN300-13304;AB01333903-02;A875673;Z90122375

Chemical Property of 3-(methoxymethyl)benzoic Acid

Chemical Property:

• Vapor Pressure: 0.000985mmHg at 25°C
• Melting Point: 64-66 °C
• Boiling Point: 289.9°Cat760mmHg
• PKA: 4.12±0.10(Predicted)
• Flash Point: 116.5°C
• PSA: 46.53000
• Density: 1.177g/cm³
• LogP: 1.53120
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99.90% ^*data from raw suppliers

3-(Methoxymethyl)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1=CC(=CC=C1)C(=O)O

Technology Process of 3-(methoxymethyl)benzoic Acid

There total 8 articles about 3-(methoxymethyl)benzoic Acid 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%

sodium methylate (124-41-4) + 3-methoxycarbonylbenzyl bromide (1129-28-8) → 3-methoxymethyl-benzoic acid (32194-76-6)

Guidance literature:

sodium methylate; 3-methoxycarbonylbenzyl bromide; In methanol; at 20 - 50 ℃; for 2h; Inert atmosphere;

With water; potassium hydroxide; In methanol; at 50 ℃; for 1.5h;

With hydrogenchloride; In methanol; water; at 20 ℃; pH=2 - 3;

Reference yield: 92.3%

3-bromomethylbenzoic acid (6515-58-8) → 3-methoxymethyl-benzoic acid (32194-76-6)

Guidance literature:

With sodium methylate; In methanol; water; ethyl acetate;

Reference yield: 91.0%

methanol (67-56-1) + methyl 3-(chloromethyl)benzoate (34040-63-6) → 3-methoxymethyl-benzoic acid (32194-76-6)

Guidance literature:

methanol; methyl 3-(chloromethyl)benzoate; With potassium carbonate; at 20 - 50 ℃; for 28h;

With hydrogenchloride; In water; pH=4;

upstream raw materials:

ethyl bromide

3-(methoxymethyl)bromobenzene

(3-Cyanophenyl)methyl methyl ether

meta-bromobenzyl bromide

Downstream raw materials:

N-methoxy-3-(methoxymethyl)-N-methylbenzamide

methyl 2-acetamido-3-(3-(methoxymethyl)phenyl)-3-oxopropanoate

methyl 2-methyl-5-(3-(methoxymethyl)phenyl)oxazole-4-carboxylate

methyl 2-amino-3-(3-(methoxymethyl)phenyl)-3-oxopropanoate

Refernces

• 1、 -. "Di/tri-aza-spiro-C9-C11alkanes". Page/Page column 27-28. . Retrieved 2012/07/13.
• 2、 -. "FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES". Page/Page column 37. . Retrieved 2010/04/03.