N-Formyldemecolcine

Base Information

• Chemical Name: N-Formyldemecolcine
• CAS No.: 14686-61-4
• Molecular Formula: C22H25 N O6
• Molecular Weight: 399.444
• NSC Number: 315260
• DSSTox Substance ID: DTXSID00163528
• Nikkaji Number: J67.641A
• ChEMBL ID: CHEMBL315193
• Mol file: 14686-61-4.mol

Synonyms:N-Formyldemecolcine;N-Formyldemeocolcine;14686-61-4;COLCHICINE, N-DEACETYL-N-FORMYL-N-METHYL-;NSC 315260;BRN 3179104;CHEBI:80675;Formamide, N-methyl-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-,;NSC315260;CHEMBL315193;DTXSID00163528;NSC-315260;LS-54676;N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide;NCI60_002713;N-DEACETYL-N-FORMYL-N-METHYLCOLCHICINE;Q27149717;Formamide,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl-, (S)-

Chemical Property of N-Formyldemecolcine

Chemical Property:

• Vapor Pressure: 9.98E-20mmHg at 25°C
• Melting Point: 187-8°C
• Boiling Point: 705.1°C at 760 mmHg
• Flash Point: 380.2°C
• PSA: 74.30000
• Density: 1.25g/cm³
• LogP: 3.45960
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 399.16818752
• Heavy Atom Count: 29
• Complexity: 727

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C=O)C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
• Isomeric SMILES: CN(C=O)[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
• Description: This alkaloid has been isolated from the seeds and corms of Colchicum autumnale, C. cornigerum, Gloriosa virescens and Littoria modesta. The melting point of that material obtained from C. cornigerum is the higher of the two values given above. The base has specific rotation of [αJ[α]D-189°C(CHCl) and [αJl? - 2020 ± 50 (c 0.79, EtOH).

Technology Process of N-Formyldemecolcine

There total 1 articles about N-Formyldemecolcine 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: 81.0%

(-)-demecolcine (477-30-5) + formic acid ethyl ester (109-94-4) → (-)-N-formyldemecolcine (14686-61-4)

Guidance literature:

for 20h; Heating;

DOI:10.1021/jo00363a021

Reference yield: 40.0%

(-)-N-formyldemecolcine (14686-61-4) → (-)-demecolcine (477-30-5)

Guidance literature:

With sulfuric acid; water; at 100 ℃; for 20h;

DOI:10.1039/a803851a

upstream raw materials:

(-)-demecolcine

formic acid ethyl ester

Downstream raw materials:

(-)-demecolcine

Refernces