2-Benzylaziridine

Base Information

• Chemical Name: 2-Benzylaziridine
• CAS No.: 13906-90-6
• Molecular Formula: C9H11N
• Molecular Weight: 133.193
• Hs Code.: 2933990090
• European Community (EC) Number: 237-677-9
• DSSTox Substance ID: DTXSID80930295
• Nikkaji Number: J100.490E
• Mol file: 13906-90-6.mol

Synonyms:2-Benzylaziridine;13906-90-6;Aziridine, 2-(phenylmethyl)-;Aziridine, 2-benzyl-;EINECS 237-677-9;2-benzyl-aziridine;SCHEMBL538541;DTXSID80930295;CDA18495;MFCD11846455;AKOS015891452;CS-0217531;FT-0649055;FT-0655476;FT-0771020;EN300-7645847;A807476;DIETHYL2-[(3-THIENYLAMINO)METHYLIDENE!MALONATE,97+%

Chemical Property of 2-Benzylaziridine

Chemical Property:

• Vapor Pressure: 0.261mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 204.589 °C at 760 mmHg
• Flash Point: 76.485 °C
• PSA: 21.94000
• Density: 1.044 g/cm³
• LogP: 1.52970
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 133.089149355
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99%, ^*data from raw suppliers

2-Benzylaziridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N1)CC2=CC=CC=C2

Technology Process of 2-Benzylaziridine

There total 10 articles about 2-Benzylaziridine 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: 89.0%

N-tosyl-2-benzylaziridine (71535-50-7) → 2-benzylaziridine (13906-90-6)

Guidance literature:

With naphthalene; sodium; In 1,2-dimethoxyethane; at -78 ℃;

DOI:10.1016/S0040-4039(99)01210-1

Reference yield: 85.0%

2-ammonio-3-phenylpropyl sulfate (59287-38-6) → 2-benzylaziridine (13906-90-6)

Guidance literature:

With sodium hydroxide; In water; toluene; for 18h; Reflux;

DOI:10.1021/jo302615g

Reference yield: 62.0%

N-Benzylethanolamine (104-63-2) → 2-benzylaziridine (13906-90-6)

Guidance literature:

N-Benzylethanolamine; With chlorosulfonic acid; In toluene; at 0 - 20 ℃; for 2h;

With sodium hydroxide; In water; toluene; for 18h; Reflux;

DOI:10.1021/jo302615g

upstream raw materials:

N-tosyl-2-benzylaziridine

(S)-(+)-2-benzyl-1-(p-tolylsulfonyl)aziridine

N-Benzylethanolamine

2-ammonio-3-phenylpropyl sulfate

Downstream raw materials:

(+/-)-2-amino-3-fluoro-1-phenylpropane HCl salt

rac-phenylalaninol

4-(2-Benzyl-aziridin-1-yl)-5-methoxy-[1,2]benzoquinone

N-allyl-2-benzyl-aziridine

Refernces

• 1、 Porter,Spear. "-". . p. 1259,1265. Retrieved 1970.
• 2、 -. "Benzphetamine hydrochloride preparation method". . . Retrieved 2020/01/25.
• 3、 Concellon, Jose M.,Rodriguez-Solla, Humberto,Bernad, Pablo L.,Simal, Carmen. "Addition reactions of chloro- Or iodomethyllithium to imines. Synthesis of enantiopure aziridines and β-chloroamines". supporting information; experimental part. p. 2452 - 2459. Retrieved 2009/07/18.