N-[1-(4-Bromophenyl)-2-nitroethyl]acetamide

Base Information

• Chemical Name: N-[1-(4-Bromophenyl)-2-nitroethyl]acetamide
• CAS No.: 94768-23-7
• Molecular Formula: C10H11BrN2O3
• Molecular Weight: 287.113
• DSSTox Substance ID: DTXSID40538135

Synonyms:94768-23-7;N-[1-(4-Bromophenyl)-2-nitroethyl]acetamide;DTXSID40538135

Chemical Property of N-[1-(4-Bromophenyl)-2-nitroethyl]acetamide

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 285.99530
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-[1-(4-Bromophenyl)-2-nitroethyl]acetamide

There total 6 articles about N-[1-(4-Bromophenyl)-2-nitroethyl]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: 84.0%

1-(4-bromophenyl)-2-nitroethanol (17104-98-2) + acetonitrile (75-05-8,26809-02-9) → N-<1-(4-bromophenyl)-2-nitroethyl>acetamide (94768-23-7)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 40 ℃; for 48h;

DOI:10.2174/1570178612666150903213036

Reference yield: 84.0%

1-bromo-4-ethenyl-benzene (2039-82-9) + acetonitrile (75-05-8,26809-02-9) → N-<1-(4-bromophenyl)-2-nitroethyl>acetamide (94768-23-7)

Guidance literature:

With nitronium tetrafluoborate; In dichloromethane; for 0.0833333h; -70 deg C (bath temperature);

DOI:10.1039/P19840002357

Reference yield:

(Z)-N-(1-(4-bromophenyl)-2-nitrovinyl)acetamide → N-<1-(4-bromophenyl)-2-nitroethyl>acetamide (94768-23-7)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 15h;

DOI:10.1055/s-0036-1591911

upstream raw materials:

1-bromo-4-ethenyl-benzene

acetonitrile

1-(4-bromophenyl)-2-nitroethanol

4-bromo-benzaldehyde

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