1-(3-Bromophenyl)cyclobutane-1-carbonitrile

Base Information

• Chemical Name: 1-(3-Bromophenyl)cyclobutane-1-carbonitrile
• CAS No.: 29786-38-7
• Molecular Formula: C11H10BrN
• Molecular Weight: 236.111
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80590232
• Wikidata: Q82483955
• Mol file: 29786-38-7.mol

Synonyms:29786-38-7;1-(3-Bromophenyl)cyclobutane-1-carbonitrile;1-(3-BROMOPHENYL)CYCLOBUTANECARBONITRILE;1-(3-Bromophenyl)-cyclobutanecarbonitrile;MFCD08706300;SCHEMBL1492681;DTXSID80590232;DXDKVAHRJJAWOH-UHFFFAOYSA-N;AKOS009375200;AB90571;AS-38958;DA-07227;SY225542;CS-0450658;EN300-1911270

Chemical Property of 1-(3-Bromophenyl)cyclobutane-1-carbonitrile

Chemical Property:

• PSA: 23.79000
• LogP: 3.39438
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 234.99966
• Heavy Atom Count: 13
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Bromophenyl)cyclobutane-1-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)(C#N)C2=CC(=CC=C2)Br

Technology Process of 1-(3-Bromophenyl)cyclobutane-1-carbonitrile

There total 2 articles about 1-(3-Bromophenyl)cyclobutane-1-carbonitrile 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: 59.0%

(3-bromophenyl)acetonitrile (31938-07-5) + 1,3-dibromo-propane (109-64-8) → 1-(3-bromophenyl)cyclobutane-1-carbonitrile (29786-38-7)

Guidance literature:

(3-bromophenyl)acetonitrile; With sodium hydride; In dimethyl sulfoxide; mineral oil; at 20 ℃; for 0.5h;

1,3-dibromo-propane; In dimethyl sulfoxide; mineral oil; at 0 - 20 ℃; for 1h;

DOI:10.1021/acsmedchemlett.9b00134

Reference yield: 50.7%

→ 1-(3-bromophenyl)cyclobutane-1-carbonitrile (29786-38-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at -10 - 0 ℃; for 1h; Inert atmosphere;

In N,N-dimethyl-formamide; mineral oil; at -10 - 10 ℃;

Reference yield: 82.0%

1-(3-bromophenyl)cyclobutane-1-carbonitrile (29786-38-7) + 2-trityl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridine → C36H28N4

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; sodium carbonate; In 1,4-dioxane; at 60 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acsmedchemlett.9b00134

upstream raw materials:

(3-bromophenyl)acetonitrile

1,3-dibromo-propane

Downstream raw materials:

1-(3-bromophenyl)cyclobutane-1-carboxamide

<1-(m-Bromophenyl)-cyclobutyl>-carbonylisocyanat

(<1-(m-Bromophenyl)-cyclobutyl>-carbonyl)-harnstoff

(<1-(m-Bromophenyl)cyclobutyl>carbonyl)carbamsaeuremethylester

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