3-Amino-N-pyridin-3-ylbenzamide

Base Information

• Chemical Name: 3-Amino-N-pyridin-3-ylbenzamide
• CAS No.: 25844-48-8
• Molecular Formula: C12H11N3O
• Molecular Weight: 213.23500
• Hs Code.: 2933399090
• European Community (EC) Number: 801-923-9
• DSSTox Substance ID: DTXSID20477735
• Mol file: 25844-48-8.mol

Synonyms:25844-48-8;3-Amino-N-pyridin-3-ylbenzamide;3-amino-N-3-pyridinylbenzamide;3-amino-N-(pyridin-3-yl)benzamide;Benzamide, 3-amino-N-3-pyridinyl-;3-Amino-N-(pyridin-3-yl)benzamide dihydrochloride;1826235-75-9;3-amino-N-(3-pyridinyl)benzenecarboxamide;SCHEMBL7078083;DTXSID20477735;3-(3-Aminobenzoylamino)-pyridine;ROXMEGSVJDLDHD-UHFFFAOYSA-N;MFCD09043704;AKOS000100237;SS-3186;3-amino-N-3-pyridinylbenzamide, AldrichCPR;BB 0217337;CS-0284131;F21109;Z239125068

Chemical Property of 3-Amino-N-pyridin-3-ylbenzamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 198-199 °C
• Boiling Point: 345.816oC at 760 mmHg
• PKA: 12.77±0.70(Predicted)
• Flash Point: 162.944oC
• PSA: 68.01000
• Density: 1.302g/cm3
• LogP: 2.57030
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.090211983
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

98% ^*data from raw suppliers

3-Amino-N-(3-pyridinyl)benzenecarboxamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C(=O)NC2=CN=CC=C2

Technology Process of 3-Amino-N-pyridin-3-ylbenzamide

There total 4 articles about 3-Amino-N-pyridin-3-ylbenzamide 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: 90.0%

3-nitro-N-pyridin-3-yl-benzamide (25849-49-4) → 3-amino-N-pyridin-3-yl-benzamide (25844-48-8)

Guidance literature:

With tin(ll) chloride; In ethyl acetate; at 20 ℃; for 4h;

DOI:10.3762/bjoc.6.139

Reference yield:

pyridin-3-ylamine (462-08-8) → 3-amino-N-pyridin-3-yl-benzamide (25844-48-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 3 h / 20 °C / Inert atmosphere

2: tin(ll) chloride / ethyl acetate / 4 h / 20 °C

With triethylamine; tin(ll) chloride; In dichloromethane; ethyl acetate;

DOI:10.3762/bjoc.6.139

Reference yield:

m-nitrobenzoic acid chloride (121-90-4) → 3-amino-N-pyridin-3-yl-benzamide (25844-48-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 3 h / 20 °C / Inert atmosphere

2: tin(ll) chloride / ethyl acetate / 4 h / 20 °C

With triethylamine; tin(ll) chloride; In dichloromethane; ethyl acetate;

DOI:10.3762/bjoc.6.139

upstream raw materials:

3-nitro-N-pyridin-3-yl-benzamide

pyridin-3-ylamine

m-nitrobenzoic acid chloride

Downstream raw materials:

6-[3-(3-Pyridylcarbamoyl)phenylazo]-pyridoxal-5-phosphate

3-(3-(4-nitrophenyl)ureido)-N-(pyridin-3-yl)benzamide

C₁₆H₁₇N₃O₂