N-(Hydroxymethyl)nicotinamide

Base Information

• Chemical Name: N-(Hydroxymethyl)nicotinamide
• CAS No.: 3569-99-1
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 2933399090
• European Community (EC) Number: 222-668-4
• UNII: 1N1YGM997E
• DSSTox Substance ID: DTXSID20189205
• Nikkaji Number: J8.158B
• Wikidata: Q27252632
• ChEMBL ID: CHEMBL92024
• Mol file: 3569-99-1.mol

Synonyms:Felosan;N-(hydroxymethyl)nicotinamide;nicotinylhydroxymethylamide

Chemical Property of N-(Hydroxymethyl)nicotinamide

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 4.46E-08mmHg at 25°C
• Melting Point: 152-154 °C(lit.)
• Refractive Index: 1.569
• Boiling Point: 427.7 °C at 760 mmHg
• PKA: 12.22±0.46(Predicted)
• Flash Point: 212.5 °C
• PSA: 62.22000
• Density: 1.262 g/cm³
• LogP: 0.15210
• Storage Temp.: -20?C Freezer
• Solubility.: DMSO, Methanol
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

N-(Hydroxymethyl)nicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)NCO
• Uses: 3-Pyridinecarboxylic acid N-hydroxymethylamide is used as a cholagogue agen. A decomposition A decomposition product found in the preparation of Nicotinic acid.

Technology Process of N-(Hydroxymethyl)nicotinamide

There total 4 articles about N-(Hydroxymethyl)nicotinamide 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: 23.2%

pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → N-hydroxymethylnicotinamide (3569-99-1) + nicotinamide (98-92-0,1255150-40-3)

Guidance literature:

With anion exchange resin AB-17-8 OH-form; ammonia; water; at 60 - 90 ℃; for 1h;

DOI:10.1007/BF00766464

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + nicotinamide (98-92-0,1255150-40-3) → N-hydroxymethylnicotinamide (3569-99-1)

Guidance literature:

With potassium carbonate;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + nicotinamide (98-92-0,1255150-40-3) → N-hydroxymethylnicotinamide (3569-99-1)

Guidance literature:

upstream raw materials:

formaldehyd

nicotinamide

pyridine-3-carbonitrile

Downstream raw materials:

C₂₁H₁₈N₄O₄

N-acetoxymethylnicotinamide

11-(Nicotinamidomethyl)-12-(benzamidomethyl)-12H-benzophenothiazine

N-(2-Phenylamino-naphthalen-1-ylmethyl)-nicotinamide

Refernces

• 1、 Veksler et al.. "-". . . Retrieved 1970.
• 2、 Dzhumakaev,Makhmetov,Mai. "Synthesis of nicotinic acid and hydroxymethylamide by the hydroformylation of 3-cyanopyridine". . p. 189 - 190. Retrieved 2007/10/02.