1-(4-Methoxy-2-nitrophenyl)propan-2-one

Base Information

• Chemical Name: 1-(4-Methoxy-2-nitrophenyl)propan-2-one
• CAS No.: 113352-66-2
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID40551667
• Wikidata: Q82431455
• Mol file: 113352-66-2.mol

Synonyms:1-(4-Methoxy-2-nitrophenyl)propan-2-one;113352-66-2;SCHEMBL14099278;DTXSID40551667;MFCD18287407;AKOS012501700;DS-5843;C71442;EN300-1856460

Chemical Property of 1-(4-Methoxy-2-nitrophenyl)propan-2-one

Chemical Property:

• PSA: 72.12000
• LogP: 2.25810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Methoxy-2-nitrophenyl)propan-2-one 95-98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=C(C=C(C=C1)OC)[N+](=O)[O-]

Technology Process of 1-(4-Methoxy-2-nitrophenyl)propan-2-one

There total 5 articles about 1-(4-Methoxy-2-nitrophenyl)propan-2-one 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: 76.0%

4-Hydroxy-4-methyl-2-pentanone (123-42-2) + 4-bromo-3-nitroanizole (5344-78-5) → 1-(4-methoxy-2-nitrophenyl)propan-2-one (113352-66-2)

Guidance literature:

With palladium diacetate; caesium carbonate; triphenylphosphine; In toluene; at 120 ℃; for 5h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/acs.joc.5b02098

Reference yield: 55.0%

4-Methoxy-2-nitro-benzenediazonium; hydrogen sulfate + acetone (67-64-1) → 1-(4-methoxy-2-nitrophenyl)propan-2-one (113352-66-2)

Guidance literature:

With hydrogenchloride; lithium chloride; copper(l) chloride; In water; 5 deg C, 3.5 h. then 20 deg C, 4 h.;

DOI:10.1021/ja00215a039

Reference yield: 55.0%

4-methoxy-2-nitroaniline (96-96-8) → 1-(4-methoxy-2-nitrophenyl)propan-2-one (113352-66-2)

Guidance literature:

DOI:10.1016/S0040-4039(00)95497-2

upstream raw materials:

acetone

4-methoxy-2-nitroaniline

Isopropenyl acetate

3-methyl-1-butyl acetate

Downstream raw materials:

C₃₁H₃₂N₂O₅S

C₃₁H₃₂N₂O₄S

C₃₁H₃₀N₂O₄S

C₃₁H₃₀N₂O₄S

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