2-[2-(Carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid

Base Information

• Chemical Name: 2-[2-(Carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid
• CAS No.: 117570-93-1
• Molecular Formula: C17H16 O5
• Molecular Weight: 300.311
• Hs Code.: 2918990090
• European Community (EC) Number: 601-485-7
• DSSTox Substance ID: DTXSID40564999
• Nikkaji Number: J2.725.724K
• Wikidata: Q82449912
• Mol file: 117570-93-1.mol

Synonyms:117570-93-1;2-[2-(Carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid;2-(2-CARBOXYMETHYL-PHENOXY)-3,4-DIMETHYL-BENZOIC ACID;2-(2-(Carboxymethyl)phenoxy)-3,4-dimethylbenzoic acid;EC 601-485-7;SCHEMBL2897267;DTXSID40564999;NS00004391

Chemical Property of 2-[2-(Carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid

Chemical Property:

• Vapor Pressure: 0Pa at 20℃
• Refractive Index: 1.607
• PSA: 83.83000
• LogP: 3.42100
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 300.09977361
• Heavy Atom Count: 22
• Complexity: 408

Purity/Quality:

99.9% ^*data from raw suppliers

2-(2-CARBOXYMETHYL-PHENOXY)-3,4-DIMETHYL-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C(=O)O)OC2=CC=CC=C2CC(=O)O)C

Technology Process of 2-[2-(Carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid

There total 8 articles about 2-[2-(Carboxymethyl)phenoxy]-3,4-dimethylbenzoic 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: 99.0%

C17H15BrO5 (1021381-67-8) → 2-<2-(carboxymethyl)phenoxy>-3,4-dimethylbenzoic acid (117570-93-1)

Guidance literature:

With palladium on activated charcoal; hydrogen;

DOI:10.1016/j.tetlet.2009.04.074

Reference yield: 76.0%

(2-hydroxyphenyl)acetic acid disodium salt (117571-22-9) + potassium; 2-iodo-3,4-dimethyl-benzoate → 2-<2-(carboxymethyl)phenoxy>-3,4-dimethylbenzoic acid (117570-93-1)

Guidance literature:

With Tris(3,6-dioxaheptyl)amine; copper(l) chloride; In dimethyl sulfoxide; for 8h; Heating; Inert atmosphere;

DOI:10.1016/j.bioorg.2019.103556

Reference yield: 63.0%

(2-hydroxyphenyl)acetic acid disodium salt (117571-22-9) + 3,4-dimethyl-2-iodobenzoic acid (129833-31-4) → 2-<2-(carboxymethyl)phenoxy>-3,4-dimethylbenzoic acid (117570-93-1)

Guidance literature:

With Tris(3,6-dioxaheptyl)amine; copper(l) chloride; In dimethyl sulfoxide; at 95 ℃; for 12h;

DOI:10.1021/jm00105a034

upstream raw materials:

(2-hydroxyphenyl)acetic acid disodium salt

3,4-dimethyl-2-iodobenzoic acid

6,7-dimethylisatin

2,3-dimethyl-α-isonitrosoacetanilide

Downstream raw materials:

vadimezan