N-(2-Hydroxyethyl)nicotinamide

Base Information

• Chemical Name: N-(2-Hydroxyethyl)nicotinamide
• CAS No.: 6265-73-2
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2933399090
• European Community (EC) Number: 811-328-6
• NSC Number: 33142
• UNII: MHH3UT8GRP
• DSSTox Substance ID: DTXSID30211708
• Nikkaji Number: J86.485D
• Wikidata: Q83086682
• ChEMBL ID: CHEMBL3264036
• Mol file: 6265-73-2.mol

Synonyms:N-(2-hydroxyethyl)nicotinamide;SG 86;SG-86

Chemical Property of N-(2-Hydroxyethyl)nicotinamide

Chemical Property:

• Vapor Pressure: 1.28E-08mmHg at 25°C
• Melting Point: 92 °C
• Refractive Index: 1.557
• Boiling Point: 442.8 °C at 760 mmHg
• PKA: 12.94±0.46(Predicted)
• Flash Point: 221.6 °C
• PSA: 62.22000
• Density: 1.212g/cm³
• LogP: 0.19460
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99.9% ^*data from raw suppliers

N-(2-Hydroxyethyl)nicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)NCCO
• Uses: N-(2-Hydroxyethyl)nitotinamide is an intermediate used to prepare oxadiazole oxide derivatives as vasodilators. It is also a derivative of Nicorandil (N398500) which is an antiaginal.

Technology Process of N-(2-Hydroxyethyl)nicotinamide

There total 1 articles about N-(2-Hydroxyethyl)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:

2-aminoethyl nicotinate nitrate (88598-33-8) → nicotinic acid (59-67-6) + N-(2-hydroxyethyl)nicotinamide (6265-73-2)

Guidance literature:

at 60 ℃; for 7h; Rate constant; Mechanism; Thermodynamic data; variation of pH; Δ Eexcit;

DOI:10.1248/cpb.32.1063

Reference yield: 87.0%

N-(2-hydroxyethyl)nicotinamide (6265-73-2) + 3-nitro-4-phenylfurazane (76016-68-7) → N-[2-(4-phenyl-furazan-3-yloxy)-ethyl]-nicotinamide

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 25 ℃; for 4h;

DOI:10.1016/S0968-0896(00)00098-5

Reference yield: 86.0%

N-(2-hydroxyethyl)nicotinamide (6265-73-2) → N-(2-nitroxyethyl)nicotinamide (65141-46-0)

Guidance literature:

With nitric acid; urea; europium(III) trifluoromethanesulfonate; at 70 ℃; for 6h; Schlenk technique;

DOI:10.1039/d0ob01519a

upstream raw materials:

2-aminoethyl nicotinate nitrate

Downstream raw materials:

nicotinoyloxyethylamine hydrochloride

2-Acetoxy-benzoic acid 2-[(pyridine-3-carbonyl)-amino]-ethyl ester

2-<2-<(3-pyridinylcarbonyl)amino>ethyloxy>-2-methyl-4H-1,3-benzodioxin-4-one

2-<(3-pyridinylcarbonyl)amino>ethyl <2S-(2α,5α,6β)>-3,3-dimethyl-7-oxo-6-<(phenylacetyl)amino>-4-thia-1-azabicyclo<3.2.0>heptane-2-carboxylate

Refernces