1-Benzhydryl-3,3-difluoroazetidine

Base Information

• Chemical Name: 1-Benzhydryl-3,3-difluoroazetidine
• CAS No.: 288315-02-6
• Molecular Formula: C16H15F2N
• Molecular Weight: 259.299
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID10707376
• Wikidata: Q82641157
• Mol file: 288315-02-6.mol

Synonyms:1-benzhydryl-3,3-difluoroazetidine;288315-02-6;1-(diphenylmethyl)-3,3-difluoroazetidine;3,3-DIFLUORO-1-(DIPHENYLMETHYL)AZETIDINE;SCHEMBL2656183;C16H15F2N;DTXSID10707376;HLEUISXCWOXDRB-UHFFFAOYSA-N;MFCD09264457;AKOS016014462;PB25135;AS-34352;CS-0052825;Azetidine, 1-(diphenylmethyl)-3,3-difluoro-;A876600;J-504213

Chemical Property of 1-Benzhydryl-3,3-difluoroazetidine

Chemical Property:

• PSA: 3.24000
• LogP: 3.66480
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 259.11725581
• Heavy Atom Count: 19
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

3,3-Difluoro-1-(diphenylmethyl)azetidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)(F)F

Technology Process of 1-Benzhydryl-3,3-difluoroazetidine

There total 2 articles about 1-Benzhydryl-3,3-difluoroazetidine 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: 80.0%

N-benzhydryl 3-azetidinone (40320-60-3) → 3,3-difluoro-1-benzhydrylazetidine (288315-02-6)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at 0 - 20 ℃; for 3h;

Reference yield:

→ 3,3-difluoro-1-benzhydrylazetidine (288315-02-6)

Guidance literature:

Reference yield: 80.1%

3,3-difluoro-1-benzhydrylazetidine (288315-02-6) → 3,3-difluoroazetidine hydrochloride (288315-03-7)

Guidance literature:

With hydrogen; In methanol; at 40 ℃; under 2585.81 Torr;

upstream raw materials:

N-benzhydryl 3-azetidinone

Downstream raw materials:

3,3-difluoroazetidine hydrochloride