(1-Benzyl-3-phenylaziridin-2-yl)-(4-methylphenyl)methanone

Base Information

• Chemical Name: (1-Benzyl-3-phenylaziridin-2-yl)-(4-methylphenyl)methanone
• CAS No.: 6476-13-7
• Molecular Formula: C₂₃H₂₁NO
• Molecular Weight: 327.426
• NSC Number: 178893,178892,167164,167139
• DSSTox Substance ID: DTXSID10980167
• Mol file: 6476-13-7.mol

Synonyms:(1-benzyl-3-phenylaziridin-2-yl)-(4-methylphenyl)methanone;6476-13-7;(1-benzyl-3-phenyl-2-aziridinyl)(4-methylphenyl)methanone;6372-58-3;NSC167164;DTXSID10980167;NSC167139;NSC178892;NSC178893;NSC-167139;NSC-167164;NSC-178892;NSC-178893;AE-477/13519481;(1-benzyl-3-phenylaziridin-2-yl)(4-methylphenyl)methanone

Chemical Property of (1-Benzyl-3-phenylaziridin-2-yl)-(4-methylphenyl)methanone

Chemical Property:

• Vapor Pressure: 4.34E-09mmHg at 25°C
• Boiling Point: 472.3°C at 760 mmHg
• Flash Point: 177.9°C
• Density: 1.169g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 327.162314293
• Heavy Atom Count: 25
• Complexity: 441

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2C(N2CC3=CC=CC=C3)C4=CC=CC=C4

Technology Process of (1-Benzyl-3-phenylaziridin-2-yl)-(4-methylphenyl)methanone

There total 4 articles about (1-Benzyl-3-phenylaziridin-2-yl)-(4-methylphenyl)methanone 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:

2,3-Dibromo-3-phenyl-1-p-tolyl-propan-1-one (10325-65-2) + benzylamine (100-46-9) → (1-benzyl-3-phenylaziridin-2-yl)(p-tolyl)methanone (6372-58-3,6476-13-7,95319-33-8) + (1-benzyl-3-phenylaziridin-2-yl)(p-tolyl)methanone (6372-58-3,6476-13-7,95319-33-8)

Guidance literature:

With ethanol;

DOI:10.1021/ja01194a026

Reference yield:

2,3-Dibromo-3-phenyl-1-p-tolyl-propan-1-one (10325-65-2) + benzylamine (100-46-9) → (1-benzyl-3-phenylaziridin-2-yl)(p-tolyl)methanone (6372-58-3,6476-13-7,95319-33-8) + (1-benzyl-3-phenylaziridin-2-yl)(p-tolyl)methanone (6372-58-3,6476-13-7,95319-33-8)

Guidance literature:

With ethanol;

DOI:10.1021/ja01194a026

Reference yield:

(E)-1-(4-methylphenyl)-3-phenyl-2-propen-1-one (14802-30-3) + benzylamine (100-46-9) → (1-benzyl-3-phenylaziridin-2-yl)(p-tolyl)methanone (6372-58-3,6476-13-7,95319-33-8) + (1-benzyl-3-phenylaziridin-2-yl)(p-tolyl)methanone (6372-58-3,6476-13-7,95319-33-8)

Guidance literature:

With tert.-butylhydroperoxide; iodine; In ethyl acetate; at 40 ℃; Overall yield = 18percent; Overall yield = 12 mg; diastereoselective reaction;

DOI:10.1039/c9ob02711d

upstream raw materials:

2,3-Dibromo-3-phenyl-1-p-tolyl-propan-1-one

benzylamine

(E)-1-(4-methylphenyl)-3-phenyl-2-propen-1-one

Downstream raw materials:

(+/-)-benzyl-(1,5t-diphenyl-3-p-tolyl-4,5-dihydro-1H-pyrazol-4r-yl)-amine