4-Peroxycyclophosphamide

Base Information

• Chemical Name: 4-Peroxycyclophosphamide
• CAS No.: 51274-71-6
• Molecular Formula: C₁₄H₂₈Cl₄N₄O₆P₂
• Molecular Weight: 552.159
• NSC Number: 176986
• UNII: 708C7Z996L
• DSSTox Substance ID: DTXSID80965562
• Mol file: 51274-71-6.mol

Synonyms:4-peroxycyclophosphamide

Chemical Property of 4-Peroxycyclophosphamide

Chemical Property:

• Boiling Point: 598°Cat760mmHg
• Flash Point: 315.5°C
• PSA: 121.22000
• Density: 1.48g/cm³
• LogP: 4.03960
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 552.020869
• Heavy Atom Count: 30
• Complexity: 551

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COP(=O)(NC1OOC2CCOP(=O)(N2)N(CCCl)CCCl)N(CCCl)CCCl

Technology Process of 4-Peroxycyclophosphamide

There total 4 articles about 4-Peroxycyclophosphamide 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:

cyclophosphamide (50-18-0) → 4-hydroxycyclophosphamide (40277-05-2) + 4-peroxycyclophosphamide (51274-71-6,146566-41-8) + 4-ketocyclophosphamide mustard (27046-19-1,69580-11-6,69580-12-7)

Guidance literature:

With dihydrogen peroxide; iron(II) sulfate; In water; at 0 - 10 ℃;

Reference yield:

4-hydroxycyclophosphamide (40277-05-2) → 4-peroxycyclophosphamide (51274-71-6,146566-41-8)

Guidance literature:

With potassium hydroxide; In chloroform;

Reference yield:

2-bis(2-chloroethyl)aminotetrahydro-2H-3,4-epoxy<1,3,2>oxazaphosphorine 2-oxide (74307-83-8) → Bis-(2-chloro-ethyl)-(3-oxo-4,7-dioxa-2-aza-3λ5-phospha-bicyclo[4.1.0]hept-3-yl)-amine + 4-peroxycyclophosphamide (51274-71-6,146566-41-8)

Guidance literature:

With water; In dichloromethane; acetone;

DOI:10.1021/ja00537a054

upstream raw materials:

2-bis(2-chloroethyl)aminotetrahydro-2H-3,4-epoxy<1,3,2>oxazaphosphorine 2-oxide

cyclophosphamide

4-hydroxycyclophosphamide

Downstream raw materials:

4-hydroperoxycyclophosphamide

aldophosphamide O-methyloxime

4-ketocyclophosphamide mustard

(E)-aldophosphamide O-methyl oxime