1-Azabicyclo[4.1.0]heptane, 7,7-dimethyl-6-phenyl-

Base Information

• Chemical Name: 1-Azabicyclo[4.1.0]heptane, 7,7-dimethyl-6-phenyl-
• CAS No.: 61687-00-1
• Molecular Formula: C₁₄H₁₉N
• Molecular Weight: 201.312
• DSSTox Substance ID: DTXSID10486174

Synonyms:1-Azabicyclo[4.1.0]heptane, 7,7-dimethyl-6-phenyl-;61687-00-1;DTXSID10486174

Chemical Property of 1-Azabicyclo[4.1.0]heptane, 7,7-dimethyl-6-phenyl-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 201.151749610
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2(N1CCCC2)C3=CC=CC=C3)C

Technology Process of 1-Azabicyclo[4.1.0]heptane, 7,7-dimethyl-6-phenyl-

There total 3 articles about 1-Azabicyclo[4.1.0]heptane, 7,7-dimethyl-6-phenyl- 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: 44.0%

4-(3,3-Dimethyl-2-phenyl-aziridin-2-yl)-butan-1-ol (61686-95-1) → 7,7-Dimethyl-6-phenyl-1-aza-bicyclo[4.1.0]heptane (61687-00-1)

Guidance literature:

With bromine; triethylamine; triphenylphosphine; In acetonitrile; for 16h; Ambient temperature;

DOI:10.1016/0040-4020(80)80038-X

Reference yield:

2,2-dimethyl-3-phenyl-2H-azirine (14491-02-2) → 7,7-Dimethyl-6-phenyl-1-aza-bicyclo[4.1.0]heptane (61687-00-1)

Guidance literature:

Multi-step reaction with 2 steps

2: 44 percent / PPh₃, Br₂, NEt₃ / acetonitrile / 16 h / Ambient temperature

With bromine; triethylamine; triphenylphosphine; In acetonitrile;

DOI:10.1016/0040-4020(80)80038-X

Reference yield:

→ (R)-7,7-Dimethyl-6-phenyl-1-aza-bicyclo[4.1.0]heptane (61687-00-1)

Guidance literature:

Aziridin-alkohol 8, 1)Br2/PPh3 2)Et3N/MeCN;

DOI:10.1016/S0040-4039(00)93864-4

upstream raw materials:

4-(3,3-Dimethyl-2-phenyl-aziridin-2-yl)-butan-1-ol

2,2-dimethyl-3-phenyl-2H-azirine

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