N-(pyridin-4-yl)benzamide

Base Information

• Chemical Name: N-(pyridin-4-yl)benzamide
• CAS No.: 5221-44-3
• Molecular Formula: C12H10 N2 O
• Molecular Weight: 198.224
• Hs Code.: 2933399090
• European Community (EC) Number: 226-019-6
• DSSTox Substance ID: DTXSID90200259
• Nikkaji Number: J51.285K
• Wikidata: Q83073326
• ChEMBL ID: CHEMBL2420841
• Mol file: 5221-44-3.mol

Synonyms:N-(4-pyridyl)benzamide

Chemical Property of N-(pyridin-4-yl)benzamide

Chemical Property:

• Vapor Pressure: 0.00898mmHg at 25°C
• Melting Point: 210 °C
• Boiling Point: 265.8°Cat760mmHg
• Flash Point: 114.5°C
• PSA: 41.99000
• Density: 1.227g/cm³
• LogP: 2.40690
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.079312947
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

98%min ^*data from raw suppliers

N-(Pyridin-4-yl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(pyridin-4-yl)benzamide

There total 24 articles about N-(pyridin-4-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: 95.0%

N-(4-pyridyl)benzamidine (787563-22-8,1263220-22-9) + benzil (134-81-6) → N-(pyridin-4-yl)benzamide (5221-44-3) + N-benzoylbenzamide (614-28-8)

Guidance literature:

With vanadyl(IV) sulfate hydrate; water; In N,N-dimethyl-formamide; at 70 ℃; for 24h;

DOI:10.1021/acs.joc.7b00950

Reference yield: 95.0%

4-aminopyridine (504-24-5) + benzoic acid anhydride (93-97-0) → N-(pyridin-4-yl)benzamide (5221-44-3)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1002/jhet.5570360505

Reference yield: 94.0%

4-aminopyridine (504-24-5) + benzoyl chloride (98-88-4) → N-(pyridin-4-yl)benzamide (5221-44-3)

Guidance literature:

for 0.0166667h; microwave irradiation;

DOI:10.1515/HC.2007.13.4.251 DOI:10.1007/s11178-008-3008-1

upstream raw materials:

4-aminopyridine

benzoyl chloride

benzoic acid anhydride

2-bromo-N-(4-pyridinyl)benzamide

Downstream raw materials:

fac-(bpy)Re(CO)3(NC₅H₄NHCOC₆H₅)PF₆

trans-[Ag(NPBA)2]NO₃

trans-Cu(NPBA)2(OAc)2

Refernces

• 1、 Saito, Masato,Kawamata, Yu,Meanwell, Michael,Navratil, Rafael,Chiodi, Debora,Carlson, Ethan,Hu, Pengfei,Chen, Longrui,Udyavara, Sagar,Kingston, Cian,Tanwar, Mayank,Tyagi, Sameer,McKillican, Bruce P.,Gichinga, Moses G.,Schmidt, Michael A.,Eastgate, Martin D.,Lamberto, Massimiliano,He, Chi,Tang, Tianhua,Malapit, Christian A.,Sigman, Matthew S.,Minteer, Shelley D.,Neurock, Matthew,Baran, Phil S.. "N-Ammonium Ylide Mediators for Electrochemical C-H Oxidation". supporting information. p. 7859 - 7867. Retrieved 2021/05/26.
• 2、 Fu, Zhengqiang,Wang, Xinghua,Tao, Sheng,Bu, Qingqing,Wei, Donghui,Liu, Ning. "Manganese Catalyzed Direct Amidation of Esters with Amines". . p. 2339 - 2358. Retrieved 2021/02/03.