2-(Carboxymethyl)-5-methoxybenzoic acid

Base Information

• Chemical Name: 2-(Carboxymethyl)-5-methoxybenzoic acid
• CAS No.: 52962-25-1
• Molecular Formula: C10H10O5
• Molecular Weight: 210.186
• Hs Code.: 2918990090
• European Community (EC) Number: 651-248-7
• DSSTox Substance ID: DTXSID10367939
• Nikkaji Number: J2.936.827I
• Wikidata: Q82154141
• Mol file: 52962-25-1.mol

Synonyms:2-(carboxymethyl)-5-methoxybenzoic acid;52962-25-1;2-Carboxymethyl-5-Methoxy-Benzoic Acid;2-Carboxymethyl-5-methoxybenzoic acid;4-methoxylhomophthalic acid;4-methoxyhomophthalic acid;Oprea1_286791;SCHEMBL1399960;DTXSID10367939;TUJHFMJYEXSKLS-UHFFFAOYSA-N;HMS1769H03;CCA96225;MFCD00196056;2,2,2-Trichloroethyldichlorophosphate;2-Carboxy-4-methoxybenzeneacetic acid;AKOS000114588;2-(carboxymethyl)-5-methoxybenzoicacid;FT-0705245;EN300-00183;A51090;2-(2-hydroxy-2-oxoethyl)-5-methoxy-benzoic acid;A829328;SR-01000026675;SR-01000026675-1;Z56770999

Chemical Property of 2-(Carboxymethyl)-5-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 5.44E-08mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 425.3 °C at 760 mmHg
• Flash Point: 172.4 °C
• PSA: 83.83000
• Density: 1.37 g/cm³
• LogP: 1.02050
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 210.05282342
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

99.9% ^*data from raw suppliers

2-(Carboxymethyl)-5-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)CC(=O)O)C(=O)O
• Uses: 2-(carboxymethyl)-5-methoxybenzoic Acid (cas# 52962-25-1) is used in making heat-developable photographic film with improved storage stability.

Technology Process of 2-(Carboxymethyl)-5-methoxybenzoic acid

There total 22 articles about 2-(Carboxymethyl)-5-methoxybenzoic 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: 98.0%

2-(β,β-dichloroethenyl)-5-methoxybenzoic acid (586415-11-4) → 2-(carboxymethyl)-5-methoxybenzoic acid (52962-25-1)

Guidance literature:

With sulfuric acid; at 60 ℃; for 2h;

DOI:10.1016/S0968-0896(02)00606-5

Reference yield: 90.3%

5-methoxy-2-methoxycarbonylmethyl-benzoic acid methyl ester (255376-41-1) → 2-(carboxymethyl)-5-methoxybenzoic acid (52962-25-1)

Guidance literature:

With sodium hydroxide; In methanol; at 60 ℃; for 5h;

DOI:10.1016/j.bmcl.2015.12.014

Reference yield: 70.0%

ethyl acetoacetate (141-97-9) + 2-bromo-5-methoxy-benzoic acid (22921-68-2) → 2-(carboxymethyl)-5-methoxybenzoic acid (52962-25-1)

Guidance literature:

With copper(I) bromide; sodium hydride;

DOI:10.1002/ardp.2503240810

upstream raw materials:

2-cyanomethyl-5-methoxy-benzoic acid

5-methoxy-2-methoxycarbonylmethyl-benzoic acid methyl ester

ethyl acetoacetate

2-bromo-5-methoxy-benzoic acid

Downstream raw materials:

2-(2-dimethylamino-1-methoxycarbonyl-vinyl)-5-methoxy-benzoic acid methyl ester

2-pyrrolidin-1-ylethyl 4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2(1H)-yl]benzoate

4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2(1H)-yl]benzoic acid

2-(5-amino-2-methylphenyl)-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-1(2H)-one

Refernces

• 1、 -. "Amide-like derivative impurity and application thereof". . . Retrieved 2020/07/12.
• 2、 Tang, Zhichao,Wu, Chengzhe,Wang, Tianlin,Lao, Kejing,Wang, Yejun,Liu, Linyi,Muyaba, Moses,Xu, Pei,He, Conghui,Luo, Guoshun,Qian, Zhouyang,Niu, Shaoxiong,Wang, Lijun,Wang, Ying,Xiao, Hong,You, Qidong,Xiang, Hua. "Design, synthesis and evaluation of 6-aryl-indenoisoquinolone derivatives dual targeting ERα and VEGFR-2 as anti-breast cancer agents". . p. 328 - 339. Retrieved 2016/06/01.