N-(4-Formyl-pyridin-3-yl)-2,2-dimethyl-propionamide

Base Information

• Chemical Name: N-(4-Formyl-pyridin-3-yl)-2,2-dimethyl-propionamide
• CAS No.: 127446-35-9
• Molecular Formula: C₁₁H₁₄N₂O₂
• Molecular Weight: 206.244
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60364054
• Wikidata: Q72479444
• Mol file: 127446-35-9.mol

Synonyms:127446-35-9;N-(4-Formyl-pyridin-3-yl)-2,2-dimethyl-propionamide;N-(4-Formylpyridin-3-yl)pivalamide;N-(4-formylpyridin-3-yl)-2,2-dimethylpropanamide;N-(4-Formylpyridin-3-yl)-2,2-dimethyl-propionamide;N-(4-formyl-3-pyridyl)-2,2-dimethyl-propanamide;SCHEMBL1501756;DTXSID60364054;MFCD06659002;AKOS015837476;AB25854;CS-0195744;FT-0677411;E90004;A805705;1-N-(4-formylpyridine-3-yl)-2,2-dimethylpropanamide;N-(4-Formyl-pyridin-3-yl)-2,2-dimethyl-propionamide, AldrichCPR

Chemical Property of N-(4-Formyl-pyridin-3-yl)-2,2-dimethyl-propionamide

Chemical Property:

• Vapor Pressure: 2E-06mmHg at 25°C
• Melting Point: 76-77°C
• Boiling Point: 394.3ºC at 760 mmHg
• PKA: 13.68±0.70(Predicted)
• Flash Point: 192.3 ºC
• PSA: 59.06000
• Density: 1.165 g/cm³
• LogP: 1.95170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Formyl-pyridin-3-yl)-2,2-dimethyl-propionamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)NC1=C(C=CN=C1)C=O

Technology Process of N-(4-Formyl-pyridin-3-yl)-2,2-dimethyl-propionamide

There total 2 articles about N-(4-Formyl-pyridin-3-yl)-2,2-dimethyl-propionamide 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: 52.0%

N-(pyridin-3-yl)pivalamide (70298-88-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,2-Dimethyl-N-(4-formyl-3-pyridinyl)propanamide (127446-35-9)

Guidance literature:

Reference yield: 52.0%

→ 2,2-Dimethyl-N-(4-formyl-3-pyridinyl)propanamide (127446-35-9)

Guidance literature:

upstream raw materials:

N-(pyridin-3-yl)pivalamide

N,N-dimethyl-formamide

Refernces

• 1、 -. "Modified amino acids, pharmaceuticals containing these compounds and method for their production". . . Retrieved 2008/06/13.