CI-383 free base

Base Information

• Chemical Name: CI-383 free base
• CAS No.: 13977-90-7
• Molecular Formula: C18H30N2OS
• Molecular Weight: 322.5086
• UNII: V8X8H16FP0
• DSSTox Substance ID: DTXSID10274811
• Wikidata: Q27291674
• Mol file: 13977-90-7.mol

Synonyms:CI-383 free base;UNII-V8X8H16FP0;4-(0-(PROPYLTHIO)PHENYL)-1-PIPERAZINEPENTANOL;V8X8H16FP0;4-(2-(Propylthio)phenyl)-1-piperazinepentanol;1-Piperazinepentanol, 4-(2-(propylthio)phenyl)-;1-Piperazinepentanol, 4-(O-(propylthio)phenyl)-;13977-90-7;1-Piperazinepentanol, 4-[2-(propylthio)phenyl]-;1-Piperazinepentanol, 4-[o-(propylthio)phenyl]-;5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentan-1-ol;DTXSID10274811;Q27291674

Chemical Property of CI-383 free base

Chemical Property:

• Vapor Pressure: 2.53E-09mmHg at 25°C
• Boiling Point: 461.8°Cat760mmHg
• Flash Point: 233.1°C
• Density: 1.1g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 322.20788476
• Heavy Atom Count: 22
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSC1=CC=CC=C1N2CCN(CC2)CCCCCO

Technology Process of CI-383 free base

There total 3 articles about CI-383 free base 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:

2-(propylthio)aniline (79792-95-3) → 5-[4-(2-propylmercapto-phenyl)-piperazino]-pentan-1-ol (13977-90-7)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorobenzene

2: sodium methylate; potassium carbonate; acetone

With sodium methylate; potassium carbonate; chlorobenzene; acetone;

Reference yield:

bis(2-bromoethyl)amine hydrobromide (43204-63-3) → 5-[4-(2-propylmercapto-phenyl)-piperazino]-pentan-1-ol (13977-90-7)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorobenzene

2: sodium methylate; potassium carbonate; acetone

With sodium methylate; potassium carbonate; chlorobenzene; acetone;

Reference yield:

5-bromo-1-pentanyl acetate (15848-22-3) + 1-(2-propylmercapto-phenyl)-piperazine (52605-47-7) → 5-[4-(2-propylmercapto-phenyl)-piperazino]-pentan-1-ol (13977-90-7)

Guidance literature:

With sodium methylate; potassium carbonate; acetone;

upstream raw materials:

5-bromo-1-pentanyl acetate

1-(2-propylmercapto-phenyl)-piperazine

2-(propylthio)aniline

bis(2-bromoethyl)amine hydrobromide

Downstream raw materials:

1-(5-carbamoyloxy-pentyl)-4-(2-propylmercapto-phenyl)-piperazine