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

Base Information

• Chemical Name: 2-(3-Methoxy-2-nitrophenyl)acetic acid
• CAS No.: 20876-31-7
• Molecular Formula: C9H9 N O5
• Molecular Weight: 211.17100
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40343706
• Wikidata: Q82115166
• Mol file: 20876-31-7.mol

Synonyms:2-(3-methoxy-2-nitrophenyl)acetic acid;20876-31-7;(3-Methoxy-2-nitrophenyl)acetic acid;3-Methoxy-2-nitrobenzeneacetic acid;2-(3-methoxy-2-nitrophenyl)aceticacid;SCHEMBL13905046;DTXSID40343706;3-Methoxy-2-nitrophenylacetic acid;MFCD11977370;AKOS022173410;(3-Methoxy-2-nitrophenyl)acetic acid #;2-(3-methoxy-2-nitro-phenyl)acetic acid;AM806768;AS-30962;CS-0449609;FT-0758117;EN300-1858557;A814997

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

Chemical Property:

• Melting Point: 137-138℃
• Boiling Point: 394.3±27.0 °C(Predicted)
• PKA: 3.83±0.10(Predicted)
• PSA: 92.35000
• Density: 1.382±0.06 g/cm3(Predicted)
• LogP: 1.75370
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• 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-2-nitrophenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 8 articles about 2-(3-Methoxy-2-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: 80.0%

1-methoxy-3-methyl-2-nitro-benzene (5345-42-6) + oxalic acid diethyl ester (95-92-1) → (3-methoxy-2-nitro-phenyl)acetic acid (20876-31-7)

Guidance literature:

1-methoxy-3-methyl-2-nitro-benzene; oxalic acid diethyl ester; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

With sodium hydroxide; dihydrogen peroxide; Further stages.; cooling;

Reference yield:

(3-methoxy-2-nitro-phenyl)-acetonitrile (111795-89-2) → (3-methoxy-2-nitro-phenyl)acetic acid (20876-31-7)

Guidance literature:

With hydrogenchloride; water; for 3h; Reflux;

DOI:10.1016/j.bmc.2010.01.011

Reference yield:

2-diazo-1-(3-methoxy-2-nitro-phenyl)-ethanone (24115-83-1) → (3-methoxy-2-nitro-phenyl)acetic acid (20876-31-7)

Guidance literature:

With 1,4-dioxane; sodium carbonate; silver(l) oxide; weiteres Reagens: wss. Na₂S₂O₃;

DOI:10.1039/jr9550002871

upstream raw materials:

2-diazo-1-(3-methoxy-2-nitro-phenyl)-ethanone

2-nitro-3-methoxy-α-(oxo)benzenoacetic acid

1-methoxy-3-methyl-2-nitro-benzene

oxalic acid diethyl ester

Downstream raw materials:

C₁₆H₁₆O₃S

methyl 2-(2-iodo-3-methoxyphenyl)acetate

C₂₁H₁₅NO₄S

C₁₀H₁₁NO₅

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