2-[4-(Carboxymethyl)-2,5-dimethoxyphenyl]acetic acid

Base Information

• Chemical Name: 2-[4-(Carboxymethyl)-2,5-dimethoxyphenyl]acetic acid
• CAS No.: 38439-92-8
• Molecular Formula: C12H14O6
• Molecular Weight: 254.236
• NSC Number: 168501
• DSSTox Substance ID: DTXSID60304955
• Wikidata: Q82051317
• Mol file: 38439-92-8.mol

Synonyms:38439-92-8;NSC168501;2-[4-(carboxymethyl)-2,5-dimethoxyphenyl]acetic acid;SCHEMBL11420544;DTXSID60304955;NSC-168501;2,2'-(2,5-Dimethoxy-1,4-phenylene)diacetic acid

Chemical Property of 2-[4-(Carboxymethyl)-2,5-dimethoxyphenyl]acetic acid

Chemical Property:

• Boiling Point: 462.3°Cat760mmHg
• Flash Point: 178.8°C
• Density: 1.321g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 254.07903816
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1CC(=O)O)OC)CC(=O)O

Technology Process of 2-[4-(Carboxymethyl)-2,5-dimethoxyphenyl]acetic acid

There total 6 articles about 2-[4-(Carboxymethyl)-2,5-dimethoxyphenyl]acetic 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:

2,2′-(2,5-dihydroxy-1,4-phenylene)diacetic acid (5488-16-4) + dimethyl sulfate (77-78-1) → 2-[4-(carboxymethyl)-2,5-dimethoxyphenyl]acetic acid (38439-92-8)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01237a038

Reference yield:

1,4-dimethoxybezene (150-78-7) → 2-[4-(carboxymethyl)-2,5-dimethoxyphenyl]acetic acid (38439-92-8)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. HCl, HCl / acetic acid

2: dimethylsulfoxide

With hydrogenchloride; In acetic acid; dimethyl sulfoxide;

DOI:10.1246/bcsj.48.497

Reference yield:

(2,5-dimethoxy-p-phenylene)-di-acetonitrile (38439-93-9) → 2-[4-(carboxymethyl)-2,5-dimethoxyphenyl]acetic acid (38439-92-8)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

(2,5-dimethoxy-p-phenylene)-di-acetonitrile

2,2′-(2,5-dihydroxy-1,4-phenylene)diacetic acid

dimethyl sulfate

1,4-bis(chloromethyl)-2,5-dimethoxybenzene

Downstream raw materials:

2,5-bis(ethoxycarbonylmethyl)-1,4-bismethoxybenzene

2-[4-(2-hydroxyethyl)-2,5-dimethoxyphenyl]ethanol

2,5-bis-(2-amino-ethyl)-hydroquinone

1,4-bis(2-amino-1-ethyl)-2,5-dimethoxybenzene

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