2-(Benzyloxy)-5-methylbenzoic acid

Base Information

• Chemical Name: 2-(Benzyloxy)-5-methylbenzoic acid
• CAS No.: 67127-92-8
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• DSSTox Substance ID: DTXSID90515592
• Wikidata: Q82376536

Synonyms:2-(Benzyloxy)-5-methylbenzoic acid;67127-92-8;5-Methyl-2-phenylmethoxybenzoic acid;Benzoic acid, 5-methyl-2-(phenylmethoxy)-;benzoic acid,5-methyl-2-(phenylmethoxy)-;SCHEMBL1647381;2-benzyloxy-5-methylbenzoic acid;DTXSID90515592;DHIFEMYRGHSSEB-UHFFFAOYSA-N;MFCD13231160;AKOS008973769;5-Methyl-2-[(phenylmethyl)oxy]benzoic acid;CS-0195855;E90876;A1-05444

Chemical Property of 2-(Benzyloxy)-5-methylbenzoic acid

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 271

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)O

Technology Process of 2-(Benzyloxy)-5-methylbenzoic acid

There total 6 articles about 2-(Benzyloxy)-5-methylbenzoic 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: 68.6%

benzyl 2-(benzyloxy)-5-methylbenzoate (1100844-42-5) → 5-methyl-2-[(phenylmethyl)oxy]benzoic acid (67127-92-8)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1016/j.bmcl.2017.07.052

Reference yield:

methyl 6-hydroxy-m-toluate (22717-57-3) → 5-methyl-2-[(phenylmethyl)oxy]benzoic acid (67127-92-8)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide

2: aq. NaOH / tetrahydrofuran

With sodium hydroxide; potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(01)00692-8

Reference yield:

2-Benzyloxy-5-methyl-benzoic acid methyl ester (424791-16-2) → 5-methyl-2-[(phenylmethyl)oxy]benzoic acid (67127-92-8)

Guidance literature:

With sodium hydroxide; for 2h; Yield given; Heating;

DOI:10.1021/jm00154a019

upstream raw materials:

2-Benzyloxy-5-methyl-benzoic acid methyl ester

methyl 6-hydroxy-m-toluate

benzyl chloride

benzyl 2-(benzyloxy)-5-methylbenzoate

Downstream raw materials:

2-benzyloxy-5-methyl-N-(1⁽²⁾H-tetrazol-5-yl)-benzamide

5-methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide

2-<2-(carboxymethyl)-4-methylphenoxy>-6-methylbenzoic acid

<2-(phenylmethoxy)-5-methylphenyl>acetic acid

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