4-Methyl-N-{1-[(pyridin-4-ylmethyl)-carbamoyl]-2-thiophen-2-yl-vinyl}-benzamide

Base Information

• Chemical Name: 4-Methyl-N-{1-[(pyridin-4-ylmethyl)-carbamoyl]-2-thiophen-2-yl-vinyl}-benzamide
• CAS No.: 6239-01-6
• Molecular Formula: C₁₀H₁₁NO₂
• Molecular Weight: 177.203
• DSSTox Substance ID: DTXSID40387504
• Wikidata: Q82181776
• ChEMBL ID: CHEMBL1384207
• Mol file: 6239-01-6.mol

Synonyms:4-Methyl-N-{1-[(pyridin-4-ylmethyl)-carbamoyl]-2-thiophen-2-yl-vinyl}-benzamide;MLS000555665;CHEMBL1384207;DTXSID40387504;HMS2446I23;SMSF0018265;STK835757;AKOS000531810;CB04500;4-methyl-N-[(Z)-3-oxo-3-(pyridin-4-ylmethylamino)-1-thiophen-2-ylprop-1-en-2-yl]benzamide;SMR000177487;BIM-0002795.P001;4-METHYL-N-(1-(((4-PYRIDINYLMETHYL)AMINO)CARBONYL)-2-(2-THIENYL)VINYL)BENZAMIDE;4-methyl-N-[(1Z)-3-oxo-3-[(pyridin-4-ylmethyl)amino]-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide

Chemical Property of 4-Methyl-N-{1-[(pyridin-4-ylmethyl)-carbamoyl]-2-thiophen-2-yl-vinyl}-benzamide

Chemical Property:

• Vapor Pressure: 1.17E-20mmHg at 25°C
• Boiling Point: 721.3°C at 760 mmHg
• PKA: 12.79±0.20(Predicted)
• Flash Point: 390°C
• Density: 1.27g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 377.11979803
• Heavy Atom Count: 27
• Complexity: 538

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NCC3=CC=NC=C3
• Isomeric SMILES: CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCC3=CC=NC=C3

Technology Process of 4-Methyl-N-{1-[(pyridin-4-ylmethyl)-carbamoyl]-2-thiophen-2-yl-vinyl}-benzamide

There total 4 articles about 4-Methyl-N-{1-[(pyridin-4-ylmethyl)-carbamoyl]-2-thiophen-2-yl-vinyl}-benzamide 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: 82.0%

C12H15NO5 (1313588-38-3) → 6,8-dimethyl-4H-benzo[1,4]oxazin-3-one (6239-01-6)

Guidance literature:

With iron; acetic acid; at 75 ℃;

DOI:10.1016/j.bmcl.2011.04.053

Reference yield:

2-chloro-N-(2-hydroxy-3,5-dimethylphenyl)acetamide (928711-38-0) → 6,8-dimethyl-4H-benzo[1,4]oxazin-3-one (6239-01-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 1 - 40 ℃;

Reference yield:

Chloroacetamide (79-07-2) → 6,8-dimethyl-4H-benzo[1,4]oxazin-3-one (6239-01-6)

Guidance literature:

With potassium carbonate; In ethanol;

upstream raw materials:

Chloroacetamide

2-chloro-N-(2-hydroxy-3,5-dimethylphenyl)acetamide

C₁₂H₁₅NO₅

2,4-dimethyl-6-nitrophenol