1-Benzhydryl-3-(4-chloro-phenylthio)-azetidine

Base Information

• Chemical Name: 1-Benzhydryl-3-(4-chloro-phenylthio)-azetidine
• CAS No.: 132924-59-5
• Molecular Formula: C22H20ClNS
• Molecular Weight: 365.927
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30384921
• Mol file: 132924-59-5.mol

Synonyms:132924-59-5;1-Benzhydryl-3-((4-chlorophenyl)thio)azetidine;1-benzhydryl-3-(4-chloro-phenylthio)-azetidine;1-BENZHYDRYL-3-[(4-CHLOROPHENYL)THIO]AZETIDINE;1-benzhydryl-3-(4-chlorophenyl)sulfanylazetidine;3-[(4-chlorophenyl)thio]-1-(diphenylmethyl)azetidine;1-Benzhydryl-3-(4-chlorophenylthio)azetidine;Maybridge2_000666;Oprea1_489570;SCHEMBL5222391;DTXSID30384921;XGJYZGNXLBHJJP-UHFFFAOYSA-N;HMS1304O06;CCG-251105;SB51692;1-Benzhydryl-3-(4-chloro-phenylsulfanyl)-azetidine;1H,1H,5H-OCTAFLUOROPENTYLP-TOLUENESULFONATE;3-[(4-chlorophenyl)thio]-1-diphenylmethylazetidine;BRD-K75560261-001-01-0;3-[(4-chlorophenyl)sulfanyl]-1-(diphenylmethyl)azetidine

Chemical Property of 1-Benzhydryl-3-(4-chloro-phenylthio)-azetidine

Chemical Property:

• Boiling Point: 477.8±45.0 °C(Predicted)
• PKA: 6.40±0.10(Predicted)
• PSA: 28.54000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 5.84380
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 365.1004985
• Heavy Atom Count: 25
• Complexity: 373

Purity/Quality:

97% ^*data from raw suppliers

1-Benzhydryl-3-(4-chlorophenylthio)azetidine 95% ^*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)SC4=CC=C(C=C4)Cl

Technology Process of 1-Benzhydryl-3-(4-chloro-phenylthio)-azetidine

There total 2 articles about 1-Benzhydryl-3-(4-chloro-phenylthio)-azetidine 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:

1-benzhydryl-3-azetidinyl methanesulfonate (33301-41-6) + p-Chlorothiophenol (106-54-7) → 3-[(4-Chlorophenyl)thio]-1-(diphenylmethyl)azetidine (132924-59-5)

Guidance literature:

p-Chlorothiophenol; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 0.166667h;

1-benzhydryl-3-azetidinyl methanesulfonate; In DMF (N,N-dimethyl-formamide); at 60 ℃; for 5h;

Reference yield:

1-(diphenylmethyl)-3-hydroxyazetidine (18621-17-5) + di-isopropyl ether (108-20-3) + oxalic acid dihydrate (6153-56-6) + methanesulfonyl chloride (124-63-0) + p-Chlorothiophenol (106-54-7) → 3-[(4-Chlorophenyl)thio]-1-(diphenylmethyl)azetidine (132924-59-5)

Guidance literature:

With potassium hydroxide; sodium hydroxide; tetrabutylammomium bromide; triethylamine; In methanol; water; toluene;

Reference yield:

3-[(4-Chlorophenyl)thio]-1-(diphenylmethyl)azetidine (132924-59-5) → 1-benzhydryl-3-(4-chloro-benzenesulfinyl)-azetidine (848643-97-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at -15 ℃; for 2h;

upstream raw materials:

1-(diphenylmethyl)-3-hydroxyazetidine

di-isopropyl ether

oxalic acid dihydrate

methanesulfonyl chloride

Downstream raw materials:

1-benzhydryl-3-(4-chloro-benzenesulfinyl)-azetidine

3-(4-chloro-phenylsulfanyl)-azetidine

3-[(4-chlorophenyl)thio]-1-azetidinecarbonyl chloride