1-(3-Bromophenyl)cyclopropanecarbonitrile

Base Information

• Chemical Name: 1-(3-Bromophenyl)cyclopropanecarbonitrile
• CAS No.: 124276-83-1
• Molecular Formula: C10H8BrN
• Molecular Weight: 222.084
• Hs Code.: 2926909090
• European Community (EC) Number: 973-646-2
• DSSTox Substance ID: DTXSID00601778
• Wikidata: Q82498597
• Mol file: 124276-83-1.mol

Synonyms:1-(3-Bromophenyl)cyclopropanecarbonitrile;124276-83-1;1-(3-BROMOPHENYL)CYCLOPROPANE-1-CARBONITRILE;Cyclopropanecarbonitrile, 1-(3-bromophenyl)-;1-(3-BROMO-PHENYL)-CYCLOPROPANECARBONITRILE;MFCD07374414;SCHEMBL3206919;DTXSID00601778;VHNBUFCWKWBTIZ-UHFFFAOYSA-N;BCP26443;AKOS009375379;AB39402;SY046145;TS-03177;1-(3-bromo-phenyl)-1-cyclopropane-nitril;DB-062234;CS-0030392;EN300-191619;1-(3-Bromophenyl)cyclopropanecarbonitrile, AldrichCPR;Z390130336

Chemical Property of 1-(3-Bromophenyl)cyclopropanecarbonitrile

Chemical Property:

• Vapor Pressure: 0.000129mmHg at 25°C
• Boiling Point: 334.3oC at 760 mmHg
• Flash Point: 156oC
• PSA: 23.79000
• Density: 1.53g/cm3
• LogP: 3.00428
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 220.98401
• Heavy Atom Count: 12
• Complexity: 223

Purity/Quality:

99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C#N)C2=CC(=CC=C2)Br

Technology Process of 1-(3-Bromophenyl)cyclopropanecarbonitrile

There total 7 articles about 1-(3-Bromophenyl)cyclopropanecarbonitrile 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: 97.0%

(3-bromophenyl)acetonitrile (31938-07-5) + 1-Bromo-2-chloroethane (107-04-0) → 1-(3-bromophenyl)cyclopropane-1-carbonitrile (124276-83-1)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; at 60 ℃; for 16.5h;

Reference yield: 95.0%

(3-bromophenyl)acetonitrile (31938-07-5) + ethylene dibromide (106-93-4) → 1-(3-bromophenyl)cyclopropane-1-carbonitrile (124276-83-1)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; at 20 ℃;

Reference yield: 86.0%

(Z)-2-(3-bromophenyl)cyclobutan-1-one O-(4-(trifluoromethyl)benzoyl)oxime → 1-(3-bromophenyl)cyclopropane-1-carbonitrile (124276-83-1)

Guidance literature:

(Z)-2-(3-bromophenyl)cyclobutan-1-one O-(4-(trifluoromethyl)benzoyl)oxime; With (1,2-dimethoxyethane)dichloronickel(II); 4,4'-di-tert-butyl-2,2'-bipyridine; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h; Glovebox;

With lithium hexamethyldisilazane; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1055/s-0039-1690872

upstream raw materials:

(3-bromophenyl)acetonitrile

1-Bromo-2-chloroethane

ethylene dibromide

m-bromobenzoic aldehyde

Downstream raw materials:

1-(3-bromophenyl)cyclopropanecarboxamide

Ethyl 3-(2-ethoxycarbonylethenyl)-5-hydroxymethylcinnamate

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