1-Bis(2,2-dimethylaziridin-1-yl)phosphoryl-3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)urea

Base Information

Chemical Name:1-Bis(2,2-dimethylaziridin-1-yl)phosphoryl-3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)urea
CAS No.:103981-96-0
Molecular Formula:C₁₇H₃₄N₅O₃P
Molecular Weight:387.462
Hs Code.:
ChEMBL ID:CHEMBL68219
DSSTox Substance ID:DTXSID50872092
Nikkaji Number:J1.593.939G

Synonyms:103981-96-0;CHEMBL68219;DTXSID50872092;P,P-Bis(2,2-dimethyl-1-aziridinyl)-N-[(1-hydroxy-2,2,5,5-tetramethyl-3-pyrrolidinyl)carbamoyl]phosphinic amide

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-Bis(2,2-dimethylaziridin-1-yl)phosphoryl-3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)urea

Chemical Property:

XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:387.23992696
Heavy Atom Count:26
Complexity:649

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CC(C(N1O)(C)C)NC(=O)NP(=O)(N2CC2(C)C)N3CC3(C)C)C

Technology Process of 1-Bis(2,2-dimethylaziridin-1-yl)phosphoryl-3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)urea

There total 2 articles about 1-Bis(2,2-dimethylaziridin-1-yl)phosphoryl-3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)urea 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: 58.0%

: 103981-93-7
N,N:N',N'-bis(2-methyl-1,2-propanediyl)-N-<<(2,2,5,5-tetramethyl-1-oxypyrrolidin-3-yl)amino>carbonyl>phosphoric triamide

: 103981-96-0
N,N:N',N'-bis(2-methyl-1,2-propanediyl)-N-<<(2,2,5,5-tetramethyl-1-hydroxypyrrolidin-3-yl)amino>carbonyl>phosphoric triamide

Guidance literature:: With sodium L-ascorbate; In methanol; at 24 ℃; for 2h;
DOI:10.1021/jm00161a016

Reference yield:

: 1661-29-6
N,N-bis(2,2-dimethylaziridinyl)phosphorylurethane

: 103981-96-0
N,N:N',N'-bis(2-methyl-1,2-propanediyl)-N-<<(2,2,5,5-tetramethyl-1-hydroxypyrrolidin-3-yl)amino>carbonyl>phosphoric triamide

Guidance literature:: Multi-step reaction with 2 steps

1: 33 percent / toluene / 0.5 h / Heating

2: 58 percent / sodium ascorbate / methanol / 2 h / 24 °C

With sodium L-ascorbate; In methanol; toluene;
DOI:10.1021/jm00161a016