3-(4-Chlorophenyl)azetidine

Base Information

• Chemical Name: 3-(4-Chlorophenyl)azetidine
• CAS No.: 7215-02-3
• Molecular Formula: C9H10ClN
• Molecular Weight: 167.638
• DSSTox Substance ID: DTXSID90222471
• Nikkaji Number: J84.672D
• Wikidata: Q83100702
• Mol file: 7215-02-3.mol

Synonyms:3-(4-chlorophenyl)azetidine;7215-02-3;3-(p-Chlorophenyl)azetidine;L 2406;AZETIDINE, 3-(p-CHLOROPHENYL)-;BRN 1424809;SCHEMBL6779675;DTXSID90222471;UPXXQMBUBSHBEZ-UHFFFAOYSA-N;GS0562;MFCD01665297;AKOS017398274;AT15505;SB52077;LS-23071;SY267181;WS-01134;FT-0664867;EN300-247045

Chemical Property of 3-(4-Chlorophenyl)azetidine

Chemical Property:

• Vapor Pressure: 0.0122mmHg at 25°C
• Boiling Point: 260.6°Cat760mmHg
• Flash Point: 111.4°C
• PSA: 12.03000
• Density: 1.171g/cm³
• LogP: 2.35560
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 167.0501770
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Chlorophenyl)azetidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1)C2=CC=C(C=C2)Cl

Technology Process of 3-(4-Chlorophenyl)azetidine

There total 2 articles about 3-(4-Chlorophenyl)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:

tert-butyl 3-(4-chlorophenyl)azetidine-1-carboxylate → 3-(4-chlorophenyl)azetidine (7215-02-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 0 - 20 ℃; for 1h;

DOI:10.1021/jacs.5b03083

Reference yield:

potassium (4-chlorophenyl)trifluoroborate → 3-(4-chlorophenyl)azetidine (7215-02-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / 1,4-dioxane / 110 °C

2: trifluoroacetic acid / dichloromethane / 20 °C

With potassium carbonate; trifluoroacetic acid; In 1,4-dioxane; dichloromethane;

DOI:10.1016/j.bmcl.2017.10.053

Reference yield: 80.0%

2,6-dichloro-3-bromobenzoic acid methyl ester (232277-30-4) + 3-(4-chlorophenyl)azetidine (7215-02-3) → methyl 2,6-dichloro-3-(3-(4-chlorophenyl)azetidin-1-yl)benzoate

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; at 110 ℃; for 16h;

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