1,2-Dimethyl-3-phenylaziridine

Base Information

• Chemical Name: 1,2-Dimethyl-3-phenylaziridine
• CAS No.: 68277-68-9
• Molecular Formula: C₁₀H₁₃N
• Molecular Weight: 147.22
• European Community (EC) Number: 269-531-5
• NSC Number: 101286,101285,40913
• UNII: W8KJY9S7S5
• DSSTox Substance ID: DTXSID20987804
• Nikkaji Number: J289.124G
• Mol file: 68277-68-9.mol

Synonyms:1,2-dimethyl-3-phenylaziridine

Chemical Property of 1,2-Dimethyl-3-phenylaziridine

Chemical Property:

• Vapor Pressure: 0.419mmHg at 25°C
• Boiling Point: 195.5°C at 760 mmHg
• Flash Point: 64.5°C
• PSA: 3.01000
• Density: 0.991g/cm³
• LogP: 1.99950
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(N1C)C2=CC=CC=C2

Technology Process of 1,2-Dimethyl-3-phenylaziridine

There total 5 articles about 1,2-Dimethyl-3-phenylaziridine 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: 32.0%

1-propenylbenzene (873-66-5) + tert-butyl (((chloromethyl)sulfonyl)oxy)(methyl)carbamate → trans-(2S,3S)-N-methyl-2-methyl-3-phenylaziridine (936-42-5,936-43-6,2242-90-2,13148-28-2,60761-45-7,68277-68-9,124919-00-2)

Guidance literature:

With trifluoroacetic acid; In 2,2,2-trifluoroethanol; at 20 ℃; for 48h; diastereospecific reaction; Sealed tube; Inert atmosphere;

DOI:10.1021/jacs.8b10485

Reference yield: 11.0%

(2-Fluoro-1-methyl-2-phenyl-ethyl)-methyl-amine; hydrochloride → (-)-cis-(2S,3R)-N-methyl-2-methyl-3-phenylaziridine (936-42-5) + trans-(2S,3S)-N-methyl-2-methyl-3-phenylaziridine (936-42-5,936-43-6,2242-90-2,13148-28-2,60761-45-7,68277-68-9,124919-00-2)

Guidance literature:

With sodium hydroxide; In ethanol; for 120h; Heating;

Reference yield:

(+)-(2R,3S)-3,4-dimethyl-2,5-diphenyl-nitrobenzo<4,3-g>1,6-dioxa-4-aza-5-phospha (5-PV) spiro <4.4>nonane (116432-33-8,116502-37-5) → 2-phenyl-nitrobenz<3,4-d> 1,2-oxaphospholane-2-oxide (84713-49-5) + trans-(2S,3S)-N-methyl-2-methyl-3-phenylaziridine (936-42-5,936-43-6,2242-90-2,13148-28-2,60761-45-7,68277-68-9,124919-00-2)

Guidance literature:

at 100 ℃; for 1h; under 0.05 Torr; Heating;

DOI:10.1016/S0040-4020(01)86860-5

upstream raw materials:

(+)-(2R,3S)-3,4-dimethyl-2,5-diphenyl-nitrobenzo<4,3-g>1,6-dioxa-4-aza-5-phospha (5-PV) spiro <4.4>nonane

(4S,5R)-3,4-Dimethyl-2,5-diphenyl-[1,3,2]oxazaphospholidine

1-propenylbenzene

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