trans-6-Phenylcyclophosphamide

Base Information

• Chemical Name: trans-6-Phenylcyclophosphamide
• CAS No.: 136185-84-7
• Molecular Formula: C₁₃H₁₉Cl₂N₂O₂P
• Molecular Weight: 337.186
• DSSTox Substance ID: DTXSID40159728
• Wikidata: Q76406053
• Mol file: 136185-84-7.mol

Synonyms:trans-6-Phenylcyclophosphamide;2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N,N-bis(2-chloroethyl)-6-phenyl-, 2-oxide, trans-;136185-84-7;C13-H19-Cl2-N2-O2-P;DTXSID40159728;LS-99803

Chemical Property of trans-6-Phenylcyclophosphamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 440.2°Cat760mmHg
• Flash Point: 220°C
• Density: 1.31g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 336.0561202
• Heavy Atom Count: 20
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNP(=O)(OC1C2=CC=CC=C2)N(CCCl)CCCl
• Isomeric SMILES: C1CN[P@](=O)(O[C@@H]1C2=CC=CC=C2)N(CCCl)CCCl

Technology Process of trans-6-Phenylcyclophosphamide

There total 2 articles about trans-6-Phenylcyclophosphamide 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: 24.0%

N,N-di(2-chloroethyl)amidophosphoric acid dichloride (127-88-8) + 3-amino-1-phenylpropan-1-ol (5053-63-4) → Bis-(2-chloro-ethyl)-((2R,6R)-2-oxo-6-phenyl-2λ5-[1,3,2]oxazaphosphinan-2-yl)-amine (106698-38-8,106698-39-9,136185-84-7,136185-85-8) + Bis-(2-chloro-ethyl)-((2R,6S)-2-oxo-6-phenyl-2λ5-[1,3,2]oxazaphosphinan-2-yl)-amine (106698-38-8,106698-39-9,136185-84-7,136185-85-8)

Guidance literature:

With dmap; triethylamine; In dichloromethane; Ambient temperature;

DOI:10.1021/jm00114a013

Reference yield: 24.0%

N,N-di(2-chloroethyl)amidophosphoric acid dichloride (127-88-8) + 3-amino-1-phenylpropan-1-ol (5053-63-4) → Bis-(2-chloro-ethyl)-((2R,6R)-2-oxo-6-phenyl-2λ5-[1,3,2]oxazaphosphinan-2-yl)-amine (106698-38-8,106698-39-9,136185-84-7,136185-85-8) + Bis-(2-chloro-ethyl)-((2R,6S)-2-oxo-6-phenyl-2λ5-[1,3,2]oxazaphosphinan-2-yl)-amine (106698-38-8,106698-39-9,136185-84-7,136185-85-8)

Guidance literature:

With dmap; triethylamine; In dichloromethane; Ambient temperature;

DOI:10.1021/jm00114a013

upstream raw materials:

N,N-di(2-chloroethyl)amidophosphoric acid dichloride

3-amino-1-phenylpropan-1-ol

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