Benzonitrile, 5-bromo-2-[2-(bromomethyl)-2-propenyl]-

Base Information

Chemical Name:Benzonitrile, 5-bromo-2-[2-(bromomethyl)-2-propenyl]-
CAS No.:506427-46-9
Molecular Formula:C11H9Br2N
Molecular Weight:315.007
Hs Code.:
DSSTox Substance ID:DTXSID10446995
Nikkaji Number:J2.021.378G
Wikidata:Q82265762
Mol file:506427-46-9.mol

Synonyms:506427-46-9;Benzonitrile, 5-bromo-2-[2-(bromomethyl)-2-propenyl]-;DTXSID10446995;2-[2-(Bromomethyl)allyl]-5-bromobenzonitrile

Suppliers and Price of Benzonitrile, 5-bromo-2-[2-(bromomethyl)-2-propenyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzonitrile, 5-bromo-2-[2-(bromomethyl)-2-propenyl]-

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:314.90813
Heavy Atom Count:14
Complexity:253

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=C(CC1=C(C=C(C=C1)Br)C#N)CBr

Technology Process of Benzonitrile, 5-bromo-2-[2-(bromomethyl)-2-propenyl]-

There total 3 articles about Benzonitrile, 5-bromo-2-[2-(bromomethyl)-2-propenyl]- 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: 62.0%

: 15378-31-1
3-bromo-2-(bromomethyl)-1-propene

: 39263-32-6
2-amino-5-bromobenzonitrile

: 506427-46-9
5-bromo-2-(2-bromomethyl-2-propenyl)benzonitrile

Guidance literature:: With tert.-butylnitrite; In acetonitrile; at 60 ℃; for 1h;
DOI:10.1021/jo035498c

Reference yield:

: 15378-31-1
3-bromo-2-(bromomethyl)-1-propene

: 121554-10-7
5-bromo-2-iodobenzonitrile

: 506427-46-9
5-bromo-2-(2-bromomethyl-2-propenyl)benzonitrile

Guidance literature:: 5-bromo-2-iodobenzonitrile; With isopropylmagnesium bromide; In tetrahydrofuran; at -40 ℃; for 0.833333h;

In tetrahydrofuran; at -40 ℃; for 0.25h;

3-bromo-2-(bromomethyl)-1-propene; In tetrahydrofuran; at -40 ℃; for 3h; Further stages.;
DOI:10.1021/jo026784b

Reference yield:

: 39263-32-6
2-amino-5-bromobenzonitrile

: 506427-46-9
5-bromo-2-(2-bromomethyl-2-propenyl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: 86 percent / tert-butyl nitrite; I₂ / acetonitrile / 1 h / 23 °C

2.1: i-PrMgBr / tetrahydrofuran / 0.83 h / -40 °C

2.2: CuCN*2LiCl / tetrahydrofuran / 0.25 h / -40 °C

2.3: 35 percent Spectr_. / tetrahydrofuran / 3 h / -40 °C

With tert.-butylnitrite; iodine; isopropylmagnesium bromide; In tetrahydrofuran; acetonitrile;
DOI:10.1021/jo026784b