1-Benzyl-1,4-dihydronicotinamide

Base Information

• Chemical Name: 1-Benzyl-1,4-dihydronicotinamide
• CAS No.: 952-92-1
• Molecular Formula: C13H14 N2 O
• Molecular Weight: 214.267
• Hs Code.: 2933399090
• NSC Number: 26899
• UNII: HSU8JA8RMP
• DSSTox Substance ID: DTXSID90241783
• Nikkaji Number: J208.102D
• Wikidata: Q83125347
• ChEMBL ID: CHEMBL25718
• Mol file: 952-92-1.mol

Synonyms:1-benzyl-3-carbamido-1,4-dihydropyridine;benzyldihydronicotinamide

Chemical Property of 1-Benzyl-1,4-dihydronicotinamide

Chemical Property:

• Vapor Pressure: 1.03E-07mmHg at 25°C
• Melting Point: 121°C
• Boiling Point: 433.4°Cat760mmHg
• PKA: 15.13±0.20(Predicted)
• Flash Point: 215.9°C
• PSA: 46.33000
• Density: 1.198g/cm³
• LogP: 2.41340
• Storage Temp.: Refrigerator
• Solubility.: Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.110613074
• Heavy Atom Count: 16
• Complexity: 314

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Benzyl-1,4-dihydronicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CN(C=C1C(=O)N)CC2=CC=CC=C2

Technology Process of 1-Benzyl-1,4-dihydronicotinamide

There total 50 articles about 1-Benzyl-1,4-dihydronicotinamide 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: 100.0%

1-benzyl-3-carbamoylpyridinium hexafluorophosphate (90832-35-2) → 1-Benzyl-1,4-dihydronicotinamide (952-92-1)

Guidance literature:

With cis-[Ru(bpy)2(CO)(CHO)]PF₆; In acetonitrile; at 0 ℃; for 0.25h;

Reference yield: 93.43%

3-(aminocarbonyl)-1-benzylpyridinium bromide (13076-43-2) → 1-Benzyl-1,4-dihydronicotinamide (952-92-1)

Guidance literature:

With sodium dithionite; In water; at 20 ℃; for 3h; Inert atmosphere; Darkness;

DOI:10.1039/d0cc08142f

Reference yield: 92.0%

1-benzyl-3-carbamoylpyridinium bromide → 1-Benzyl-1,4-dihydronicotinamide (952-92-1)

Guidance literature:

With sodium dithionite; sodium hydrogencarbonate; In water; at 20 ℃; for 3h; Reflux; Inert atmosphere;

DOI:10.1021/ol303240a

upstream raw materials:

1-benzylnicotinamide chloride

9,10-dihydro-10-methylacridine

1-benzyl-3-carbamoylpyridinium ion

N-benzyl-3-acetyl-1,4-dihydropyridine

Downstream raw materials:

(4-chlorophenyl)(phenyl)methanethiol

diphenylmethanethiol

(R,S)-N-benzylpiperidine-3-carboxamide

2-Hydroxymethylpyridine

Refernces

• 1、 Matsubara, Yasuo,Koga, Kichitaro,Kobayashi, Atsuo,Konno, Hideo,Sakamoto, Kazuhiko,Morimoto, Tatsuki,Ishitani, Osamu. "Development of an efficient and durable photocatalytic system for hydride reduction of an NAD(P)+ model compound using a ruthenium(II) complex based on mechanistic studies". . p. 10547 - 10552. Retrieved 2010.
• 2、 Mengele, Alexander K.,Seibold, Gerd M.,Eikmanns, Bernhard J.,Rau, Sven. "Coupling Molecular Photocatalysis to Enzymatic Conversion". . p. 4369 - 4376. Retrieved 2017.
• 3、 Au, Vonika Ka-Man,Cheng, Shun-Cheung,Ho, Pui-Yu,Ko, Chi-Chiu,Kwok, Chun-Leung,Leung, Chi-Fai,Man, Wai-Lun,Robert, Marc,Tsang, Po-Keung,Yiu, Shek-Man. "Precious-metal free photocatalytic production of an NADH analogue using cobalt diimine-dioxime catalysts under both aqueous and organic conditions". . p. 7491 - 7494. Retrieved 2020.
• 4、 Basle, Mattias,Padley, Henry A.W.,Martins, Floriane L.,Winkler, Gerlof Sebastiaan,J?ger, Christof M.,Pordea, Anca. "Design of artificial metalloenzymes for the reduction of nicotinamide cofactors". . . Retrieved 2021/04/19.
• 5、 Ogawa, Narihito,Furukawa, Sei,Kosugi, Yuya,Takazawa, Takayuki,Kanomata, Nobuhiro. "Biomimetic systems involving sequential redox reactions in glycolysis-the sulfur effect". . p. 12917 - 12920. Retrieved 2020/11/05.