N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide

Base Information

• Chemical Name: N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide
• CAS No.: 3123-13-5
• Molecular Formula: C11H12 N2 O5
• Molecular Weight: 252.227
• European Community (EC) Number: 221-503-3
• NSC Number: 63858,60236,48739
• DSSTox Substance ID: DTXSID701188311
• Nikkaji Number: J62.018A
• Mol file: 3123-13-5.mol

Synonyms:4-nitro-alpha-acetylamino-beta-hydroxypropiophenone;p-nitro-alpha-acetylamino-beta-hydroxypropiophenone

Chemical Property of N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide

Chemical Property:

• Vapor Pressure: 1.41E-13mmHg at 25°C
• Boiling Point: 564.4°Cat760mmHg
• Flash Point: 295.2°C
• PSA: 112.22000
• Density: 1.354g/cm³
• LogP: 1.18860
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 252.07462149
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

N-[1-(Hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide

There total 10 articles about N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide 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:

N-(p-nitrophenacyl)acetamide (1846-34-0) → N-[1-hydroxymethyl-2-(4-nitro-phenyl)-2-oxo-ethyl]-acetamide (3123-13-5)

Guidance literature:

With formaldehyd; ethanol; sodium hydrogencarbonate;

DOI:10.1021/ja01175a067

Reference yield:

→ N-[1-hydroxymethyl-2-(4-nitro-phenyl)-2-oxo-ethyl]-acetamide (3123-13-5)

Guidance literature:

With piperidine;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-(p-nitrophenacyl)acetamide (1846-34-0) → N-[1-hydroxymethyl-2-(4-nitro-phenyl)-2-oxo-ethyl]-acetamide (3123-13-5)

Guidance literature:

With ethanol; sodium hydrogencarbonate; acetic acid;

upstream raw materials:

formaldehyd

N-(p-nitrophenacyl)acetamide

N-[1-(4-nitro-benzoyl)-vinyl]-acetamide

acetic anhydride

Downstream raw materials:

N-[1-(4-nitro-benzoyl)-vinyl]-acetamide

1-<(4-nitro)-phenyl>-1,2-propandione

(2-methyl-2,3-dihydro-oxazol-4-yl)-(4-nitro-phenyl)-ketone

2-Methyl-4-chloromethyl-5-(p-nitro-phenyl)-oxazole