Acetamide, N-(4-(bromomethyl)phenyl)-

Base Information

• Chemical Name: Acetamide, N-(4-(bromomethyl)phenyl)-
• CAS No.: 66047-05-0
• Molecular Formula: C9H10BrNO
• Molecular Weight: 228.088
• European Community (EC) Number: 865-051-0
• DSSTox Substance ID: DTXSID10216251
• Wikidata: Q83092459
• Mol file: 66047-05-0.mol

Synonyms:66047-05-0;Acetamide, N-(4-(bromomethyl)phenyl)-;N-[4-(bromomethyl)phenyl]acetamide;N-(4-Bromomethylphenyl)acetamide;N-(4-(Bromomethyl)phenyl)acetamide;Acetamide, N-[4-(bromomethyl)phenyl]-;p-acetamidobenzyl bromide;4-acetylaminobenzyl bromide;SCHEMBL11641546;DTXSID10216251;AKOS023762114;EN300-1894860

Chemical Property of Acetamide, N-(4-(bromomethyl)phenyl)-

Chemical Property:

• Vapor Pressure: 5.75E-06mmHg at 25°C
• Boiling Point: 379.7°Cat760mmHg
• Flash Point: 183.4°C
• PSA: 32.59000
• Density: 1.5g/cm³
• LogP: 3.18940
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.99458
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

N-[4-(BROMOMETHYL)PHENYL]ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)CBr

Technology Process of Acetamide, N-(4-(bromomethyl)phenyl)-

There total 5 articles about Acetamide, N-(4-(bromomethyl)phenyl)- 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: 75.0%

acetic acid (64-19-7,77671-22-8) + 4-Methylacetanilide (103-89-9) → N-<4-(bromomethyl)phenyl>acetamide (66047-05-0) + para-acetamidobenzaldehyde (122-85-0) + p-(acetylamino)benzoic acid (556-08-1)

Guidance literature:

With ozone; potassium bromide; cobalt(II) acetate; at 95 ℃; Further Variations:; Reagents; Catalysts; Kinetics;

DOI:10.1134/S1070427208070148

Reference yield: 65.0%

→ N-<4-(bromomethyl)phenyl>acetamide (66047-05-0)

Guidance literature:

With bromine; In chloroform; Ambient temperature;

DOI:10.1246/cl.1987.701

Reference yield: 44.0%

((CH3)2C2N2OOH)2CoCH2C6H4NHCOCH3(C5H5N) + bromine (7726-95-6) → ((CH3)2C2N2OOH)2*Co*C5H5N*CH2C6H3BrNHCOCH3=((CH3)2C2N2OOH)2CoCH2C6H3BrNHCOCH3(C5H5N) + N-<4-(bromomethyl)phenyl>acetamide (66047-05-0)

Guidance literature:

In chloroform; reaction of solution of Co-compound in dry chloroform with chloroformic soln. of Br2 (2 moles) under N2 at room temp.;

DOI:10.1246/cl.1987.701

upstream raw materials:

bromocyane

bromine

acetic acid

4-Methylacetanilide

Downstream raw materials:

N,N,N-trimethyl-N-p-aminobenzylammonium bromide

C₁₀H₁₅N₃⁽²⁺⁾*2Br^(1-)

N-n-cetyl-N,N-dimethyl-N-p-aminobenzylammonium bromide

C₂₅H₄₅N₃⁽²⁺⁾*2Br^(1-)

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