Thiodemecolcine

Base Information

• Chemical Name: Thiodemecolcine
• CAS No.: 76129-11-8
• Molecular Formula: C21H25 N O4 S
• Molecular Weight: 387.5
• ChEMBL ID: CHEMBL1709848
• Mol file: 76129-11-8.mol

Synonyms:thiodemecolcine

Chemical Property of Thiodemecolcine

Chemical Property:

• Vapor Pressure: 7.71E-16mmHg at 25°C
• Boiling Point: 631.2°C at 760 mmHg
• Flash Point: 335.5°C
• PSA: 82.09000
• Density: 1.23g/cm³
• LogP: 4.05910
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 387.15042945
• Heavy Atom Count: 27
• Complexity: 657

Purity/Quality:

97% ^*data from raw suppliers

THIODEMECOLCINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

Technology Process of Thiodemecolcine

There total 5 articles about Thiodemecolcine 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: 83.5%

N-(trifluoroacetyl)thiodemecolcine (92264-45-4) → thiodemecolcine (76129-11-8)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Heating;

DOI:10.1021/jm00147a014

Reference yield:

deacetylthiocolchicine (2731-16-0) → thiodemecolcine (76129-11-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 79.5 percent / Na₂CO₃ / diethyl ether / 5 h / Ambient temperature

2: 89.6 percent / K₂CO₃ / acetone / 240 h / Ambient temperature

3: 83.5 percent / K₂CO₃ / acetone / 24 h / Heating

With sodium carbonate; potassium carbonate; In diethyl ether; acetone;

DOI:10.1021/jm00147a014

Reference yield:

N-<5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-(methylthio)-9-oxobenzoheptalen-7-yl>-(S)-2,2,2-trifluoroacetamide (76129-16-3) → thiodemecolcine (76129-11-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 89.6 percent / K₂CO₃ / acetone / 240 h / Ambient temperature

2: 83.5 percent / K₂CO₃ / acetone / 24 h / Heating

With potassium carbonate; In acetone;

DOI:10.1021/jm00147a014

upstream raw materials:

(-)-demecolcine

sodium thiomethoxide

N-(trifluoroacetyl)thiodemecolcine

deacetylthiocolchicine

Refernces

• 1、 Kerekes, Peter,Sharma, Padam N.,Brossi, Arnold,Chignell, Colin F.,Quinn, Frank R.. "Synthesis an Biological Effects of Novel Thiocolchicines. 3. Evaluation of N-Acyldeacetylthiocolchicines, N-(Alkoxycarbonyl)deacetylthiocolchicines, and O-Ethyldemethylthiocolchicines. New Synthesis of Thiodemecolcine and Antileukemic Effects of 2-Demethy". . p. 1204 - 1208. Retrieved 2007/10/02.