2-(3-Methoxy-4-nitrophenyl)acetic acid

Base Information

• Chemical Name: 2-(3-Methoxy-4-nitrophenyl)acetic acid
• CAS No.: 5803-22-5
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.174
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30587854
• Wikidata: Q82480337
• Mol file: 5803-22-5.mol

Synonyms:2-(3-Methoxy-4-nitrophenyl)acetic acid;5803-22-5;(3-Methoxy-4-nitro-phenyl)-acetic acid;(3-methoxy-4-nitrophenyl)acetic acid;MFCD09997710;3-Methoxy-4-nitrophenylacetic acid;Benzeneacetic acid, 3-methoxy-4-nitro-;SCHEMBL2593397;DTXSID30587854;CWAJOYCYODQOML-UHFFFAOYSA-N;3-methoxy-4-nitro-phenylacetic acid;AKOS015999599;2-(3-Methoxy-4-nitrophenyl)aceticacid;DS-15699;SY025377;DB-346075;CS-0042610;F30937

Chemical Property of 2-(3-Methoxy-4-nitrophenyl)acetic acid

Chemical Property:

• PSA: 92.35000
• LogP: 1.75370
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Methoxy-4-nitrophenyl)aceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CC(=O)O)[N+](=O)[O-]

Technology Process of 2-(3-Methoxy-4-nitrophenyl)acetic acid

There total 5 articles about 2-(3-Methoxy-4-nitrophenyl)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:

diethyl 2-(3-methoxy-4-nitrophenyl)propanedioate → 2-(3-methoxy-4-nitrophenyl)acetic acid (5803-22-5)

Guidance literature:

diethyl 2-(3-methoxy-4-nitrophenyl)propanedioate; With water; sodium hydroxide; In ethanol; at 20 ℃; for 12h;

With hydrogenchloride; In water; pH=2 - 3;

Reference yield:

(3-Methoxy-4-nitro-phenyl)-acetonitrile (104103-16-4) → 2-(3-methoxy-4-nitrophenyl)acetic acid (5803-22-5)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 3.5h;

DOI:10.1021/jm070336k

Reference yield:

3-methoxyphenylacetonitrile (19924-43-7) → 2-(3-methoxy-4-nitrophenyl)acetic acid (5803-22-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 32 percent / trifluoroacetic anhydride; tetra-n-butylammonium nitrate; 18-crown-6 / CH₂Cl₂ / 1.5 h / 20 °C

2: aq. HCl / 3.5 h / 100 °C

With hydrogenchloride; 18-crown-6 ether; tetrabutylammonium nitrate; trifluoroacetic anhydride; In dichloromethane;

DOI:10.1021/jm070336k

upstream raw materials:

(3-Methoxy-4-nitro-phenyl)-acetonitrile

3-methoxyphenylacetonitrile

4-fluoro-2-methoxy-1-nitrobenzene

Downstream raw materials:

2-(3-methoxy-4-nitrophenyl)ethanol

2-(4-amino-3-methoxyphenyl)acetic acid

methyl 2-(3-methoxy-4-nitrophenyl)acetate

2-[3-methoxy-4-nitrophenyl]acetamide