1-Benzhydryl-3-iodoazetidine

Base Information

• Chemical Name: 1-Benzhydryl-3-iodoazetidine
• CAS No.: 125735-40-2
• Molecular Formula: C16H16IN
• Molecular Weight: 349.214
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80428546
• Nikkaji Number: J3.383.921I
• Wikidata: Q72473364
• Mol file: 125735-40-2.mol

Synonyms:1-benzhydryl-3-iodoazetidine;125735-40-2;1-(diphenylmethyl)-3-iodoazetidine;1-benzhydryl-3-iodo-azetidine;MFCD08062427;Azetidine, 1-(diphenylmethyl)-3-iodo-;3-Iodo-N-benzhydryl-azetidine;SCHEMBL1602721;1-Diphenylmethyl-3-iodoazetidine;DTXSID80428546;IBCVAYQWXMWFLD-UHFFFAOYSA-N;BBL102228;STL556027;AKOS015912378;SB10267;AM803123;DS-18282;SY029585;CS-0006549;FT-0753140;EN300-386223;A805423

Chemical Property of 1-Benzhydryl-3-iodoazetidine

Chemical Property:

• Melting Point: 101～102℃
• Boiling Point: 377.4 °C at 760 mmHg
• PKA: 6.16±0.10(Predicted)
• Flash Point: 182 °C
• PSA: 3.24000
• Density: 1.55 g/cm³
• LogP: 3.83310
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 349.03275
• Heavy Atom Count: 18
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

1-Benzhydryl-3-iodoazetidine ^*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)I
• Uses: 1-Benzhydryl-3-iodoazetidine is a useful research reagent used in the synthetic preparation of other pharmacologically active molecules.

Technology Process of 1-Benzhydryl-3-iodoazetidine

There total 3 articles about 1-Benzhydryl-3-iodoazetidine 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: 100.0%

1-benzhydryl-3-azetidinyl methanesulfonate (33301-41-6) → 1-benzhydryl-3-iodoazetidine (125735-40-2)

Guidance literature:

With potassium iodide; In 1,2-dimethoxyethane; water; at 20 ℃; Reflux;

Reference yield: 95.0%

1-(diphenylmethyl)-3-hydroxyazetidine (18621-17-5) → 1-benzhydryl-3-iodoazetidine (125735-40-2)

Guidance literature:

1-(diphenylmethyl)-3-hydroxyazetidine; With methanesulfonyl chloride; triethylamine; In dichloromethane; at 20 ℃; for 1h;

With potassium iodide; In 1,2-dimethoxyethane; water; for 3h; Reflux;

DOI:10.1002/anie.201712395

Reference yield: 11.0%

1-benzhydryl-3-azetidinyl methanesulfonate (33301-41-6) → 1-benzhydryl-3-iodoazetidine (125735-40-2) + 1-benzhydryl-3-nitroazetidine (125735-37-7)

Guidance literature:

With 3,5-dihydroxyphenol; sodium iodide; sodium nitrite; In water; N,N-dimethyl-formamide; at 50 ℃; for 48h;

DOI:10.1021/jo00296a066

upstream raw materials:

1-benzhydryl-3-azetidinyl methanesulfonate

1-(diphenylmethyl)-3-hydroxyazetidine

Downstream raw materials:

3-(3-(Trifluoromethyl)phenyl)-1-(diphenylmethyl)azetidine

Refernces

• 1、 -. "NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS". Page/Page column 159-160. . Retrieved 2011/06/19.
• 2、 -. "Piperidones as tachykinin antagonists". . . Retrieved 2008/06/13.