Nictindole

Base Information

• Chemical Name: Nictindole
• CAS No.: 36504-64-0
• Molecular Formula: C17H16 N2 O
• Molecular Weight: 264.327
• Hs Code.: 2933990090
• European Community (EC) Number: 253-070-1
• UNII: EDK3Z2X1IV
• DSSTox Substance ID: DTXSID30190004
• Nikkaji Number: J19.976A
• Wikidata: Q27277124
• NCI Thesaurus Code: C76805
• ChEMBL ID: CHEMBL2105174
• Mol file: 36504-64-0.mol

Synonyms:2-isopropyl-nicotinyl-indole;L 8027;L-8027;L8027;nictindole

Chemical Property of Nictindole

Chemical Property:

• Vapor Pressure: 7.61E-10mmHg at 25°C
• Boiling Point: 492.5°C at 760 mmHg
• Flash Point: 248.5°C
• PSA: 45.75000
• Density: 1.183g/cm³
• LogP: 3.91730
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 264.126263138
• Heavy Atom Count: 20
• Complexity: 355

Purity/Quality:

98%Min ^*data from raw suppliers

(2-ISOPROPYL-1H-INDOL-3-YL)(3-PYRIDINYL)METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C2=CC=CC=C2N1)C(=O)C3=CN=CC=C3

Technology Process of Nictindole

There total 2 articles about Nictindole 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:

1-[3-Acetyl-2-(2-isopropyl-1H-indol-3-yl)-2-pyridin-3-yl-imidazolidin-1-yl]-ethanone → Nictindole (36504-64-0)

Guidance literature:

With sodium hydroxide; In ethanol;

Reference yield:

→ Nictindole (36504-64-0)

Guidance literature:

2-Isopropylindol, Nicotinoylchlorid, AlCl3;

Reference yield: 30.9%

Nictindole (36504-64-0) + methyl iodide (74-88-4) → 1-Methyl-2-isopropyl-indol-3-yl-pyrid-3-yl-keton (54270-10-9)

Guidance literature:

In N-methyl-acetamide; mineral oil;

Downstream raw materials:

1-Methyl-2-isopropyl-indol-3-yl-pyrid-3-yl-keton

[2-isopropyl-1-(4-methoxy-benzyl)-indol-3-yl]-pyridin-3-yl-methanone

Refernces