Benzodepa

Base Information

• Chemical Name: Benzodepa
• CAS No.: 1980-45-6
• Molecular Formula: C₁₂H₁₆N₃O₃P
• Molecular Weight: 281.251
• NSC Number: 37096
• UNII: Q30T24YM3F
• DSSTox Substance ID: DTXSID80173509
• Nikkaji Number: J7.835B
• Wikidata: Q27286938
• NCI Thesaurus Code: C1759
• ChEMBL ID: CHEMBL504088
• Mol file: 1980-45-6.mol

Synonyms:(bis(1-aziridinyl)phosphinyl)carbamic acid phenylmethyl ester;benzodepa

Chemical Property of Benzodepa

Chemical Property:

• Melting Point: 134-135°
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.39g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 281.09292838
• Heavy Atom Count: 19
• Complexity: 374

Purity/Quality:

98%min ^*data from raw suppliers

BENZODEPA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN1P(=O)(NC(=O)OCC2=CC=CC=C2)N3CC3
• Uses: Antineoplastic.

Technology Process of Benzodepa

There total 2 articles about Benzodepa 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:

N,N-bis(aziridinyl)phosphorylurethane (302-49-8) + benzyl alcohol (100-51-6,185532-71-2) → benzodepa (1980-45-6)

Guidance literature:

DOI:10.1038/183399a0

Reference yield:

→ benzodepa (1980-45-6)

Guidance literature:

-carbamidsaeure-aethylester, Benzylalkohol, Toluol, ca. 10 min, Siedetemp.;

DOI:10.1021/jm01240a013

upstream raw materials:

N,N-bis(aziridinyl)phosphorylurethane

benzyl alcohol