(3-Formyl-4-nitrophenoxy)acetic acid

Base Information

• Chemical Name: (3-Formyl-4-nitrophenoxy)acetic acid
• CAS No.: 105728-06-1
• Molecular Formula: C9H7 N O6
• Molecular Weight: 225.158
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80548516
• Wikidata: Q82427244
• Mol file: 105728-06-1.mol

Synonyms:105728-06-1;(3-FORMYL-4-NITROPHENOXY)ACETIC ACID;2-(3-formyl-4-nitrophenoxy)acetic acid;Acetic acid,2-(3-formyl-4-nitrophenoxy)-;SCHEMBL7318422;DTXSID80548516;AKOS015911290;AS-62545;A11865

Chemical Property of (3-Formyl-4-nitrophenoxy)acetic acid

Chemical Property:

• PSA: 109.42000
• LogP: 1.39390
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 225.02733694
• Heavy Atom Count: 16
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

(3-FORMYL-4-NITROPHENOXY)ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OCC(=O)O)C=O)[N+](=O)[O-]

Technology Process of (3-Formyl-4-nitrophenoxy)acetic acid

There total 4 articles about (3-Formyl-4-nitrophenoxy)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%

2-nitro-5-hydroxybenzaldehyde (42454-06-8) + ethyl bromoacetate (105-36-2) → 2-(3-formyl-4-nitrophenyl)oxyacetic acid (105728-06-1)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; Reflux;

Reference yield: 78.0%

(3-Formyl-4-nitro-phenoxy)-acetic acid ethyl ester (105728-02-7) → 2-(3-formyl-4-nitrophenyl)oxyacetic acid (105728-06-1)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jm00385a012

Reference yield:

2-nitro-5-hydroxybenzaldehyde (42454-06-8) → 2-(3-formyl-4-nitrophenyl)oxyacetic acid (105728-06-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / K₂CO₃ / dimethylformamide

2: 78 percent / aq. KOH

With potassium hydroxide; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1021/jm00385a012

upstream raw materials:

(3-Formyl-4-nitro-phenoxy)-acetic acid ethyl ester

2-nitro-5-hydroxybenzaldehyde

ethyl bromoacetate

Downstream raw materials:

N-cyclohexyl-N-methyl-2-(2-oxo-1,2,3,5-tetrahydroimidazo[2,1-b]quinazolin-7-yl)oxyacetamide

N-Cyclohexyl-2-(3-formyl-4-nitro-phenoxy)-N-methyl-acetamide