4-(Azetidin-3-yl)benzonitrile

Base Information

• Chemical Name: 4-(Azetidin-3-yl)benzonitrile
• CAS No.: 7215-03-4
• Molecular Formula: C10H10N2
• Molecular Weight: 158.1998
• DSSTox Substance ID: DTXSID50222472
• Nikkaji Number: J87.863D
• Wikidata: Q83100703

Synonyms:4-(azetidin-3-yl)benzonitrile;7215-03-4;BENZONITRILE, p-(3-AZETIDINYL)-;p-(3-Azetidinyl)benzonitrile;L 2424;BRN 0473497;4-azetidin-3-yl-benzonitrile;SCHEMBL2300047;DTXSID50222472;GS0577;MFCD01662140;SB50928;AS-42605;LS-38640;CS-0226515;FT-0702598;L-2424;EN300-1869070;5-22-02-00425 (Beilstein Handbook Reference)

Chemical Property of 4-(Azetidin-3-yl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.000599mmHg at 25°C
• Boiling Point: 310.5°Cat760mmHg
• Flash Point: 141.6°C
• Density: 1.13g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Azetidin-3-yl)benzonitrile

There total 2 articles about 4-(Azetidin-3-yl)benzonitrile 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-cyanophenyl)azetidine-1-carboxylate → 4-(azetidin-3-yl)benzonitrile (7215-03-4)

Guidance literature:

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

DOI:10.1021/jacs.5b03083

Reference yield:

→ 4-(azetidin-3-yl)benzonitrile (7215-03-4)

Guidance literature:

1-Acetyl-3-(4-cyan-phenyl)-azetidin, h. 10percentig. HCl, 45 Min. (ueber das m. 78percent erhaltene Hydrochlorid isoliert);

Reference yield:

5-(8-bromoimidazo[1,2-b]pyridazin-6-yl)pyrimidine-2,4(1H,3H)-dione + 4-(azetidin-3-yl)benzonitrile (7215-03-4) + trifluoroacetic acid (76-05-1) → 4-(1-(6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl)benzonitrile trifluoroacetate

Guidance literature:

5-(8-bromoimidazo[1,2-b]pyridazin-6-yl)pyrimidine-2,4(1H,3H)-dione; 4-(azetidin-3-yl)benzonitrile; With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 4h;

trifluoroacetic acid; In water; acetonitrile;

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