1-Methyl-3-(N-(4-iodophenyl)carbamoyl)-1,4-dihydropyridine

Base Information

• Chemical Name: 1-Methyl-3-(N-(4-iodophenyl)carbamoyl)-1,4-dihydropyridine
• CAS No.: 97807-27-7
• Molecular Formula: C13H13 I N2 O
• Molecular Weight: 0
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60243259
• Wikidata: Q83127295
• ChEMBL ID: CHEMBL446094
• Mol file: 97807-27-7.mol

Synonyms:1-methyl-3-(N-(4-iodophenyl)carbamoyl)-1,4-dihydropyridine;1-methyl-3-(N-(4-iodophenyl)carbamoyl)-1,4-dihydropyridine, 125I-labeled;1-MIPCDP

Chemical Property of 1-Methyl-3-(N-(4-iodophenyl)carbamoyl)-1,4-dihydropyridine

Chemical Property:

• Vapor Pressure: 1.12E-08mmHg at 25°C
• Boiling Point: 461°Cat760mmHg
• Flash Point: 232.6°C
• PSA: 32.34000
• Density: 1.677g/cm³
• LogP: 2.97370
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 340.00726
• Heavy Atom Count: 17
• Complexity: 343

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CCC(=C1)C(=O)NC2=CC=C(C=C2)I

Technology Process of 1-Methyl-3-(N-(4-iodophenyl)carbamoyl)-1,4-dihydropyridine

There total 3 articles about 1-Methyl-3-(N-(4-iodophenyl)carbamoyl)-1,4-dihydropyridine 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%

1-methyl-3-(p-iodophenyl)carbamoylpyridinium iodide (97807-25-5) → 1-methyl-3-[N-(p-iodophenyl)carbamoyl]-1,4-dihydropyridine (97807-27-7)

Guidance literature:

With sodium dithionite; sodium hydrogencarbonate; In methanol;

DOI:10.1021/jm00149a006

Reference yield:

4-aminophenylmercuric acetate (6283-24-5) → 1-methyl-3-[N-(p-iodophenyl)carbamoyl]-1,4-dihydropyridine (97807-27-7)

Guidance literature:

Multi-step reaction with 3 steps

1: I₂, / methanol / 0.08 h

2: 71 percent / dimethylformamide / 5 h / Ambient temperature

3: 82 percent / sodium bicarbonate, sodium dithionite / methanol

With sodium dithionite; iodine; sodium hydrogencarbonate; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00149a006

Reference yield:

p-aminoiodobenzene (540-37-4) → 1-methyl-3-[N-(p-iodophenyl)carbamoyl]-1,4-dihydropyridine (97807-27-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / dimethylformamide / 5 h / Ambient temperature

2: 82 percent / sodium bicarbonate, sodium dithionite / methanol

With sodium dithionite; sodium hydrogencarbonate; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00149a006

upstream raw materials:

1-methyl-3-(p-iodophenyl)carbamoylpyridinium iodide

4-aminophenylmercuric acetate

p-aminoiodobenzene