2-Methoxy-6-nitrophenylacetic acid

Base Information

• Chemical Name: 2-Methoxy-6-nitrophenylacetic acid
• CAS No.: 20876-28-2
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.174
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20340379
• Wikidata: Q82109983
• Mol file: 20876-28-2.mol

Synonyms:2-Methoxy-6-nitrophenylacetic acid;20876-28-2;2-(2-methoxy-6-nitrophenyl)acetic acid;(2-Methoxy-6-nitro-phenyl)-acetic acid;2-METHOXY-6-NITROPHENYLACETICACID;SCHEMBL1126993;DTXSID20340379;AC5447;2-(2-methoxy-6-nitrophenyl)aceticacid;Phenylacetic acid, 2-methoxy-6-nitro-;(2-Methoxy-6-nitrophenyl)acetic acid #;FT-0708052;J-509846

Chemical Property of 2-Methoxy-6-nitrophenylacetic acid

Chemical Property:

• Melting Point: 172 °C
• Boiling Point: 380.7±27.0 °C(Predicted)
• PKA: 3.79±0.10(Predicted)
• PSA: 92.35000
• Density: 1.382±0.06 g/cm3(Predicted)
• LogP: 1.75370
• XLogP3: 1.8
• 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-Methoxy-6-nitrophenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1CC(=O)O)[N+](=O)[O-]

Technology Process of 2-Methoxy-6-nitrophenylacetic acid

There total 14 articles about 2-Methoxy-6-nitrophenylacetic 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: 97.0%

(6-methoxy-2-nitrophenyl)acetonitrile (20876-27-1) → 2-(2-methoxy-6-nitrophenyl)acetic acid (20876-28-2)

Guidance literature:

With hydrogenchloride; sulfuric acid;

DOI:10.1016/S0960-894X(02)00607-8

Reference yield:

2-nitro-6-methoxybenzyl bromide (19689-86-2) → 2-(2-methoxy-6-nitrophenyl)acetic acid (20876-28-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / aq. ethanol

2: 97 percent / aq. HCl; H₂SO₄

With hydrogenchloride; sulfuric acid; In ethanol;

DOI:10.1016/S0960-894X(02)00607-8

Reference yield:

3-nitro-o-cresol (5460-31-1) → 2-(2-methoxy-6-nitrophenyl)acetic acid (20876-28-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe / methanol

2: (i) KOEt, Et₂O, (ii) H₂O₂

With sodium methylate; In methanol;

DOI:10.1016/S0040-4020(01)96342-2

upstream raw materials:

pyruvic acid

(6-methoxy-2-nitrophenyl)acetonitrile

(2-methoxy-6-nitro-phenyl)-acetic acid amide

formaldehyd

Downstream raw materials:

4-methoxyindolin-2-one

1-(2-Methoxy-6-nitro-phenyl)-pent-4-en-2-one

4-methoxy-1-methyl-1H-indole

4-methoxy-1-methyloxindole