10-(Benzylthio)-10-demethoxycolchicine

Base Information

• Chemical Name: 10-(Benzylthio)-10-demethoxycolchicine
• CAS No.: 76129-12-9
• Molecular Formula: C28H29NO5S
• Molecular Weight: 491.608
• NSC Number: 186305
• DSSTox Substance ID: DTXSID40997480
• Nikkaji Number: J67.636E
• ChEMBL ID: CHEMBL86070
• Mol file: 76129-12-9.mol

Synonyms:76129-12-9;NSC186305;CHEMBL86070;DTXSID40997480;NSC-186305;Acetamide,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-[(phenylmethyl)thio]benzo[c]heptalen-7-yl]-, (S)-;N-[10-(Benzylsulfanyl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]ethanimidic acid

Chemical Property of 10-(Benzylthio)-10-demethoxycolchicine

Chemical Property:

• Vapor Pressure: 8.91E-25mmHg at 25°C
• Boiling Point: 787.6°Cat760mmHg
• Flash Point: 430.1°C
• PSA: 99.16000
• Density: 1.27g/cm³
• LogP: 5.54620
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 491.17664420
• Heavy Atom Count: 35
• Complexity: 875

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SCC4=CC=CC=C4)OC)OC)OC
• Isomeric SMILES: CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SCC4=CC=CC=C4)OC)OC)OC

Technology Process of 10-(Benzylthio)-10-demethoxycolchicine

There total 1 articles about 10-(Benzylthio)-10-demethoxycolchicine 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:

colchicine (64-86-8,54192-66-4) + phenylmethanethiol (100-53-8) → 10-benzylthiocolchicine (76129-12-9)

Guidance literature:

With toluene-4-sulfonic acid;

Reference yield: 82.0%

10-benzylthiocolchicine (76129-12-9) → N-<5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-<(phenylmethyl)sulfonyl>benzoheptalen-7-yl>-(S)-acetamide (76129-14-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 0 - 20 ℃; for 5.75h;

DOI:10.1021/jm00135a004

upstream raw materials:

colchicine

phenylmethanethiol

Downstream raw materials:

N-<5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-<(phenylmethyl)sulfonyl>benzoheptalen-7-yl>-(S)-acetamide

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