n-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-carboxamide

Base Information

• Chemical Name: n-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-carboxamide
• CAS No.: 18951-74-1
• Molecular Formula: C₇H₁₁NO₂
• Molecular Weight: 141.17
• NSC Number: 34267
• DSSTox Substance ID: DTXSID50283927
• Nikkaji Number: J3.023.994F
• Wikidata: Q82018680
• Mol file: 18951-74-1.mol

Synonyms:6323-83-7;n-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-carboxamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-pyridinecarboxamide;18951-74-1;NSC34267;DTXSID50283927;NSC-34267;N-nicotinoyltris(hydroxymethyl)aminomethane;EN300-7456899;A813327;N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]pyridine-3-carboxamide

Chemical Property of n-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-carboxamide

Chemical Property:

• Melting Point: >300 °C(Solv: water (7732-18-5); acetone (67-64-1))
• Boiling Point: 269.1±23.0 °C(Predicted)
• Density: 1.16±0.1 g/cm3(Predicted)
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 226.09535693
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)NC(CO)(CO)CO

Technology Process of n-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-carboxamide

There total 2 articles about n-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-carboxamide 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:

formic acid (64-18-6) → methylenecyclopropylalanine (156-56-9,18951-74-1,144604-88-6)

Guidance literature:

DOI:10.1002/hlca.19590420311

Reference yield:

diiodomethane (75-11-6) + 1-Formamino-1,1-bis-(aethoxycarbonyl)-pentadien-(3,4) (18934-86-6) → (+/-)-Hypoglycin A (156-56-9,18951-74-1,144604-88-6)

Guidance literature:

DOI:10.1039/j39680000288

Reference yield:

methylenecyclopropylalanine (156-56-9,18951-74-1,144604-88-6) → (S)-2-L-γ-glutamylamino-3-((S)-2-methylene-cyclopropyl)-propionic acid (502-37-4)

Guidance literature:

Multi-step reaction with 2 steps

2: aqueous NaOH; dioxane

With 1,4-dioxane; sodium hydroxide;

DOI:10.1002/hlca.19590420311

upstream raw materials:

formic acid

diiodomethane

1-Formamino-1,1-bis-(aethoxycarbonyl)-pentadien-(3,4)

Downstream raw materials:

(S)-2-L-γ-glutamylamino-3-((S)-2-methylene-cyclopropyl)-propionic acid