N-(4-methylphenyl)-2-oxopropanehydrazonoyl bromide

Base Information

• Chemical Name: N-(4-methylphenyl)-2-oxopropanehydrazonoyl bromide
• CAS No.: 74519-39-4
• Molecular Formula: C10H11 Br N2 O
• Molecular Weight: 255.114
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID10694232
• Mol file: 74519-39-4.mol

Synonyms:74519-39-4;N-(4-methylphenyl)-2-oxopropanehydrazonoyl bromide;DTXSID10694232

Chemical Property of N-(4-methylphenyl)-2-oxopropanehydrazonoyl bromide

Chemical Property:

• Vapor Pressure: 0.000258mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 323.7°C at 760 mmHg
• Flash Point: 149.6°C
• PSA: 41.46000
• Density: 1.39g/cm³
• LogP: 2.77730
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 254.00548
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-1-[2-(4-methylphenyl)hydrazono]acetone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NN=C(C(=O)C)Br

Technology Process of N-(4-methylphenyl)-2-oxopropanehydrazonoyl bromide

There total 2 articles about N-(4-methylphenyl)-2-oxopropanehydrazonoyl bromide 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: 82.0%

3-[(4-methylphenyl)hydrazono]pentane-2,4-dione (24756-04-5) → N-(p-methyl)-phenyl-C-ethoxycarbonylformo-hydrazidoyl bromide (74519-39-4)

Guidance literature:

With bromine; sodium acetate; acetic anhydride; In acetic acid; at 0 - 5 ℃; for 3h;

DOI:10.1021/je00026a022

Reference yield:

→ N-(p-methyl)-phenyl-C-ethoxycarbonylformo-hydrazidoyl bromide (74519-39-4)

Guidance literature:

With bromine; acetic acid;

Reference yield: 78.0%

N-(p-methyl)-phenyl-C-ethoxycarbonylformo-hydrazidoyl bromide (74519-39-4) + phenyl isothiocyanate (103-72-0) → 1-{5-[(Z)-Phenylimino]-4-p-tolyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-ethanone (84801-82-1)

Guidance literature:

With triethylamine; In chloroform; for 12h; Heating;

DOI:10.1021/je00032a043

upstream raw materials:

3-[(4-methylphenyl)hydrazono]pentane-2,4-dione

Downstream raw materials:

1-[4-Phenyl-5-((E)-styryl)-1-p-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone

C-acetyl nitrile amine

3-Acetyl-5-methyl-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester

1-{5-[(Z)-Phenylimino]-4-p-tolyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-ethanone

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