4-tert-butyl-N-(3-nitrophenyl)benzamide

Base Information

• Chemical Name: 4-tert-butyl-N-(3-nitrophenyl)benzamide
• CAS No.: 324577-44-8
• Molecular Formula: C₁₇H₁₈N₂O₃
• Molecular Weight: 298.342
• European Community (EC) Number: 651-537-8
• DSSTox Substance ID: DTXSID80354412
• Wikidata: Q82132522
• ChEMBL ID: CHEMBL1490423
• Mol file: 324577-44-8.mol

Synonyms:4-tert-butyl-N-(3-nitrophenyl)benzamide;SMR000184460;MLS000573209;324577-44-8;HMS2539B13;Oprea1_648791;cid_772637;SCHEMBL7295441;CHEMBL1490423;BDBM49565;DTXSID80354412;STK257586;AKOS000503174;SR-01000409294;SR-01000409294-1;Z31681040

Chemical Property of 4-tert-butyl-N-(3-nitrophenyl)benzamide

Chemical Property:

• Boiling Point: 367.6±35.0 °C(Predicted)
• PKA: 12.87±0.70(Predicted)
• Density: 1.208±0.06 g/cm3(Predicted)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 298.13174244
• Heavy Atom Count: 22
• Complexity: 403

Purity/Quality:

4-tert-butyl-N-(3-nitrophenyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of 4-tert-butyl-N-(3-nitrophenyl)benzamide

There total 2 articles about 4-tert-butyl-N-(3-nitrophenyl)benzamide 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:

3-nitro-aniline (99-09-2) + p-tert-butyl benzoyl chloride (1710-98-1) → N-(3-nitrophenyl)-4-(1,1-dimethylethyl)-benzamide (324577-44-8)

Guidance literature:

With triethylamine; In acetonitrile; at 75 ℃; for 3h;

DOI:10.1016/j.bmcl.2014.06.032

Reference yield:

→ N-(3-nitrophenyl)-4-(1,1-dimethylethyl)-benzamide (324577-44-8)

Guidance literature:

Reference yield:

N-(3-nitrophenyl)-4-(1,1-dimethylethyl)-benzamide (324577-44-8) → N-(3-aminophenyl)-4-(tert-butyl)benzamide (330997-09-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2014.06.032

upstream raw materials:

3-nitro-aniline

p-tert-butyl benzoyl chloride

Downstream raw materials:

N-(3-aminophenyl)-4-(tert-butyl)benzamide

C₂₄H₂₄N₂O₂

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