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

Base Information

• Chemical Name: 2-(4-Methoxy-2-nitrophenyl)acetic acid
• CAS No.: 20876-30-6
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.174
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50465084
• Wikidata: Q82290769
• Mol file: 20876-30-6.mol

Synonyms:20876-30-6;2-(4-METHOXY-2-NITROPHENYL)ACETIC ACID;(4-METHOXY-2-NITRO-PHENYL)-ACETIC ACID;Benzeneacetic acid, 4-methoxy-2-nitro-;(4-methoxy-2-nitrophenyl)acetic acid;MFCD06659779;Benzeneaceticacid, 4-methoxy-2-nitro-;SCHEMBL2436193;DTXSID50465084;XCGMUHYKYLADKO-UHFFFAOYSA-N;4-methoxy-2-nitrophenylacetic acid;AMY30259;(4-Methoxy-2-nitrophenyl)aceticacid;AKOS022172853;AB26288;DS-7057;AC-30556;SY105431;CS-0042890;2-(4-METHOXY-2-NITROPHENYL)ACETICACID;W17009;EN300-1843511;A814996

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

Chemical Property:

• Boiling Point: 396 °C at 760 mmHg
• Flash Point: 193.3 °C
• PSA: 92.35000
• Density: 1.382 g/cm³
• LogP: 1.75370
• Storage Temp.: Sealed in dry,Room Temperature
• 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-(4-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(=C(C=C1)CC(=O)O)[N+](=O)[O-]

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

There total 11 articles about 2-(4-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: 100.0%

diethyl 2-(4-methoxy-2-nitrophenyl)malonate (10565-15-8) → (4-methoxy-2-nitro-phenyl)-acetic acid (20876-30-6)

Guidance literature:

diethyl 2-(4-methoxy-2-nitrophenyl)malonate; With sodium hydroxide; ethanol; water; at 90 ℃; for 1h;

With hydrogenchloride; water; at 85 ℃; for 1h;

Reference yield: 76.0%

(4-methoxy-2-nitro-phenyl)-acetonitrile (105003-90-5) → (4-methoxy-2-nitro-phenyl)-acetic acid (20876-30-6)

Guidance literature:

With sulfuric acid; In water; for 0.333333h; Heating;

DOI:10.1002/jhet.5570410303

Reference yield:

ethyl 2-cyano-2-(4-methoxy-2-nitrophenyl)acetate (65547-98-0) → (4-methoxy-2-nitro-phenyl)-acetic acid (20876-30-6)

Guidance literature:

ethyl 2-cyano-2-(4-methoxy-2-nitrophenyl)acetate; With sodium carbonate; In water; at 55 ℃; for 48h;

With sulfuric acid; water; for 0.333333h; Reflux;

DOI:10.1021/ja907287n

upstream raw materials:

(4-methoxy-2-nitro-phenyl)-pyruvic acid

4-Methyl-3-nitroanisole

oxalic acid diethyl ester

dihydrogen peroxide

Downstream raw materials:

(4-methoxy-2-nitro-phenyl)-acetic acid-(3,4-dimethoxy-phenethylamide)

1-(2,4-dihydroxy-phenyl)-2-(4-methoxy-2-nitro-phenyl)-ethanone

6,7-dimethoxy-1-(4-methoxy-2-nitro-benzyl)-3,4-dihydro-isoquinoline

6-methoxyoxindole