4-Nitro-N-pyrimidin-2-yl-benzamide

Base Information

• Chemical Name: 4-Nitro-N-pyrimidin-2-yl-benzamide
• CAS No.: 6941-88-4
• Molecular Formula: C11H8N4O3
• Molecular Weight: 244.2062
• NSC Number: 37544
• DSSTox Substance ID: DTXSID10284531
• Wikidata: Q82019524
• ChEMBL ID: CHEMBL1368801
• Mol file: 6941-88-4.mol

Synonyms:6941-88-4;4-Nitro-N-pyrimidin-2-yl-benzamide;NSC37544;Cambridge id 5530897;Oprea1_008437;Oprea1_870645;MLS000709374;CHEMBL1368801;SCHEMBL21616930;DTXSID10284531;HMS2678D20;NSC-37544;STK001037;4-nitro-N-(pyrimidin-2-yl)benzamide;AKOS000673533;SMR000290041;4-NITRO-N-(2-PYRIMIDINYL)BENZAMIDE;AB00087612-01

Chemical Property of 4-Nitro-N-pyrimidin-2-yl-benzamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.465g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 244.05964013
• Heavy Atom Count: 18
• Complexity: 304

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Nitro-N-pyrimidin-2-yl-benzamide

There total 2 articles about 4-Nitro-N-pyrimidin-2-yl-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:

2-aminopyrimidine (109-12-6) + 4-nitro-benzoyl chloride (122-04-3) → 4-nitro-benzoic acid pyrimidin-2-ylamide (6941-88-4)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

Reference yield:

→ 4-nitro-benzoic acid pyrimidin-2-ylamide (6941-88-4)

Guidance literature:

/BRN= 238827/;

DOI:10.1021/ja01238a006

Reference yield:

4-nitro-benzoic acid pyrimidin-2-ylamide (6941-88-4) → 4-amino-N-(pyrimidin-2-yl)benzamide (75808-03-6)

Guidance literature:

With platinum; Hydrogenation;

DOI:10.1021/ja01238a006

upstream raw materials:

2-aminopyrimidine

4-nitro-benzoyl chloride

Downstream raw materials:

4-amino-N-(pyrimidin-2-yl)benzamide