Npf-etoposide

Base Information

• Chemical Name: Npf-etoposide
• CAS No.: 125830-36-6
• Molecular Formula: C27H24 F N O7
• Molecular Weight: 493.488
• DSSTox Substance ID: DTXSID20154953
• Nikkaji Number: J304.197B
• Wikidata: Q83022394
• ChEMBL ID: CHEMBL281692
• Mol file: 125830-36-6.mol

Synonyms:4'-O-demethyl-4-(4''-fluoroanilino)-4-desoxypodophyllotoxin;NPF-etoposide;NSC 628679;NSC-628679

Chemical Property of Npf-etoposide

Chemical Property:

• Vapor Pressure: 1.18E-19mmHg at 25°C
• Boiling Point: 689.7°Cat760mmHg
• Flash Point: 370.9°C
• PSA: 95.48000
• Density: 1.414g/cm³
• LogP: 4.43810
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 493.15368027
• Heavy Atom Count: 36
• Complexity: 780

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F

Technology Process of Npf-etoposide

There total 8 articles about Npf-etoposide 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: 72.0%

4'-O-demethyl-4β-bromo-4-desoxypodophyllotoxin (16477-16-0) + 4-fluoroaniline (371-40-4) → 4'-demethyl-4-p-fluoroaniline-4-desoxypodophyllotoxin (125830-36-6)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; triethylamine; In tetrahydrofuran; at 25 - 35 ℃; for 6h;

DOI:10.1016/0040-4039(96)00546-1

Reference yield: 45.0%

4'-O-demethyl-4β-bromo-4-desoxypodophyllotoxin (16477-16-0) + 4-fluoroaniline (371-40-4) → 4'-demethyl-4-p-fluoroaniline-4-desoxypodophyllotoxin (125830-36-6) + 4'-demethyl-4α-(4-fluoroanilino)-4-desoxypodophyllotoxin (125830-36-6)

Guidance literature:

With barium carbonate; In dichloromethane; Ambient temperature;

DOI:10.1021/jm00167a013

Reference yield: 45.0%

4'-O-demethyl-4β-bromo-4-desoxypodophyllotoxin (16477-16-0) + 4-fluoroaniline (371-40-4) → 4'-demethyl-4-p-fluoroaniline-4-desoxypodophyllotoxin (125830-36-6) + 4'-demethyl-4α-(4-fluoroanilino)-4-desoxypodophyllotoxin (125830-36-6)

Guidance literature:

With barium carbonate; In dichloromethane; Ambient temperature;

DOI:10.1021/jm00167a013

upstream raw materials:

4'-O-demethyl-4β-bromo-4-desoxypodophyllotoxin

4-fluoroaniline

podofilox

4β-iodo-4-O-demethylpodophyllotoxin

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