(2S)-2-(2-Methylpropyl)aziridine

Base Information

• Chemical Name: (2S)-2-(2-Methylpropyl)aziridine
• CAS No.: 23852-57-5
• Molecular Formula: C6H13N
• Molecular Weight: 99.1759
• DSSTox Substance ID: DTXSID10507176
• Nikkaji Number: J801.554F
• Wikidata: Q82363245
• Mol file: 23852-57-5.mol

Synonyms:(2S)-2-(2-Methylpropyl)aziridine;23852-57-5;DTXSID10507176;KGHFQEDPQOKCSJ-LURJTMIESA-N;(S)-2-(2-methylpropyl)aziridine;AKOS006349718

Chemical Property of (2S)-2-(2-Methylpropyl)aziridine

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 99.104799419
• Heavy Atom Count: 7
• Complexity: 59.2

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1CN1
• Isomeric SMILES: CC(C)C[C@H]1CN1

Technology Process of (2S)-2-(2-Methylpropyl)aziridine

There total 3 articles about (2S)-2-(2-Methylpropyl)aziridine 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: 65.0%

methanol (67-56-1) + (S)-1-(Diphenyl-phosphinoyl)-2-isobutyl-aziridine (156301-22-3) → (S)-2-(2-Methylpropyl)-aziridine (23852-57-5) + methyl diphenylphosphinate (1706-90-7)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1016/S0040-4020(97)10430-6

Reference yield:

phenyllithium (591-51-5) + (S)-1-(Diphenyl-phosphinoyl)-2-isobutyl-aziridine (156301-22-3) → (S)-2-(2-Methylpropyl)-aziridine (23852-57-5) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With copper(l) iodide; Yield given. Multistep reaction; 1) Et₂O, -10 deg C, 20 min, 2) Et₂O, THF, -78 deg C, 2 h;

DOI:10.1016/S0040-4020(97)10430-6

Reference yield:

n-butyllithium (109-72-8,29786-93-4) + (S)-1-(Diphenyl-phosphinoyl)-2-isobutyl-aziridine (156301-22-3) → (S)-2-(2-Methylpropyl)-aziridine (23852-57-5) + butyldiphenylphosphine oxide (4233-13-0)

Guidance literature:

With copper(l) iodide; Yield given. Multistep reaction; 1) Et₂O, -10 deg C, 20 min, 2) Et₂O, THF, -78 deg C to 0 deg C, 2 h;

DOI:10.1016/S0040-4020(97)10430-6

upstream raw materials:

methanol

(S)-1-(Diphenyl-phosphinoyl)-2-isobutyl-aziridine

n-butyllithium

phenyllithium

Downstream raw materials:

(S)-2-amino-4-methyl-1-pentanethiol

(S)-phenylmethyl 2-(2-methylpropyl)-1-aziridinecarboxylate

5-isobutyl-2-piperazinone

(S)-1-ethyl-5-isobutyl-2-piperazinon