Methyl apholate

Base Information

• Chemical Name: Methyl apholate
• CAS No.: 3527-55-7
• Molecular Formula: C18H36 N9 P3
• Molecular Weight: 471.465
• European Community (EC) Number: 222-547-6
• NSC Number: 58788
• DSSTox Substance ID: DTXSID20956712
• Nikkaji Number: J21.156G
• ChEMBL ID: CHEMBL1983188
• Mol file: 3527-55-7.mol

Synonyms:Methyl apholate;3527-55-7;1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexakis(2-methyl-1-aziridinyl)-;NSC58788;SCHEMBL434085;CHEMBL1983188;DTXSID20956712;EINECS 222-547-6;NSC 58788;NSC-58788;AKOS040753027;NCI60_004435;Hexa(2-methylaziridinyl)cyclotriphosphazene;AI3-50123;Hexakis(2-methyl-1-aziridinyl)phosphonitrile;Hexa-1-(2-methyl)aziridinyltriphosphatriazine;Hexakis(2-methyl-1-aziridinyl)phosphatriazine;Hexa(2-methyl-1-aziridinyl)-1,5-phosphotriazine;1,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexakis(2-methyl-1-aziridinyl)-;2,2,4,4,6,6-hexakis(2-methylaziridin-1-yl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

Chemical Property of Methyl apholate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 84.57000
• Density: 1.83g/cm³
• LogP: 1.99740
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 471.23065318
• Heavy Atom Count: 30
• Complexity: 772

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN1P2(=NP(=NP(=N2)(N3CC3C)N4CC4C)(N5CC5C)N6CC6C)N7CC7C
• Uses: Insect chemosterilant. Methyl Apholate is an aziridinyl chemosterilant for houseflies. An antitumor agent.

Technology Process of Methyl apholate

There total 3 articles about Methyl apholate 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:

2-Methylaziridine (75-55-8,41927-28-0,76612-76-5,76612-77-6,205537-16-2) → 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexakis(2-methylaziridin-1-yl)-1,2,3,4,5,6-triazatriphosphorine (3527-55-7) + 2,4-Dichloro-2,4,6,6-tetrakis-(2-methyl-aziridin-1-yl)-2λ5,4λ5,6λ5-[1,3,5,2,4,6]triazatriphosphinine + 2-Chloro-2,4,4,6,6-pentakis-(2-methyl-aziridin-1-yl)-2λ5,4λ5,6λ5-[1,3,5,2,4,6]triazatriphosphinine

Guidance literature:

With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; triethylamine; In benzene; Yield given;

Reference yield:

2-Chloro-2,4,4,6,6-pentakis-(2-methyl-aziridin-1-yl)-2λ5,4λ5,6λ5-[1,3,5,2,4,6]triazatriphosphinine + 2-Methylaziridine (75-55-8,41927-28-0,76612-76-5,76612-77-6,205537-16-2) → 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexakis(2-methylaziridin-1-yl)-1,2,3,4,5,6-triazatriphosphorine (3527-55-7)

Guidance literature:

Reference yield:

→ 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexakis(2-methylaziridin-1-yl)-1,2,3,4,5,6-triazatriphosphorine (3527-55-7)

Guidance literature:

trimeres Phosphonitril-chlorid u.2-Methyl-ethylenimin in Bzl.+ Triethylamin;

upstream raw materials:

2-Methylaziridine