3-(Pyridin-3-yl)prop-2-enamide

Base Information

• Chemical Name: 3-(Pyridin-3-yl)prop-2-enamide
• CAS No.: 1126-73-4
• Molecular Formula: C₈H₈N₂O
• Molecular Weight: 148.164
• Hs Code.: 2933399090
• NSC Number: 141209
• ChEMBL ID: CHEMBL2064701
• Mol file: 1126-73-4.mol

Synonyms:3-(pyridin-3-yl)prop-2-enamide;180526-66-3;3-Pyridineacrylamide;1126-73-4;(E)-3-pyridin-3-ylprop-2-enamide;2-Propenamide,3-(3-pyridinyl)-,(E)-(9CI);(E)-3-(Pyridin-3-yl)acrylamide;3-(pyridin-3-yl)acrylamide;2-Propenamide, 3-(3-pyridinyl)-;NSC141209;starbld0047509;CHEMBL2064701;AKOS009148402;NSC-141209;CS-0256629;EN300-65027;Z284112150

Chemical Property of 3-(Pyridin-3-yl)prop-2-enamide

Chemical Property:

• Vapor Pressure: 5.73E-06mmHg at 25°C
• Boiling Point: 379.7°C at 760 mmHg
• Flash Point: 183.5°C
• PSA: 55.98000
• Density: 1.19g/cm³
• LogP: 1.28040
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 148.063662883
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

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

3-(Pyridin-3-yl)prop-2-enamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C=CC(=O)N
• Isomeric SMILES: C1=CC(=CN=C1)/C=C/C(=O)N

Technology Process of 3-(Pyridin-3-yl)prop-2-enamide

There total 8 articles about 3-(Pyridin-3-yl)prop-2-enamide 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: 99.0%

3-(pyridin-3-yl)propiolamide (78597-55-4) → (E)-3-(pyridin-3-yl)acrylamide (1126-73-4)

Guidance literature:

With potassium tert-butylate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 20 ℃; for 0.166667h; stereoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.0c02567

Reference yield: 85.0%

trans-3-(3-pyridyl)acrylic acid (19337-97-4,1126-74-5) → (E)-3-(pyridin-3-yl)acrylamide (1126-73-4)

Guidance literature:

With 4-methyl-morpholine; ammonium chloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.ejmech.2012.07.001

Reference yield:

3-Bromopyridine (626-55-1,163928-56-1) + 2-propenamide (79-06-1,12624-24-7,25038-45-3,27754-57-0,33338-03-3,39387-77-4,68247-81-4,9082-06-8,79079-15-5) → (E)-3-(pyridin-3-yl)acrylamide (1126-73-4)

Guidance literature:

With trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); sodium acetate; In N,N-dimethyl-formamide; at 140 ℃; for 0.25h; Sealed tube; Microwave irradiation;

DOI:10.1002/open.201500001

upstream raw materials:

trans-3-(3-pyridyl)acrylic acid

methyl (E)-3-(3-pyridyl)acrylate

(E)-3-(2-pyridyl)acrylic acid

3-Bromopyridine

Downstream raw materials:

(E)-3-(pyridin-3-yl)acrylonitrile