1-(2-Iodophenethyl)cyclohexanecarbonitrile

Base Information

Chemical Name:1-(2-Iodophenethyl)cyclohexanecarbonitrile
CAS No.:495414-07-8
Molecular Formula:C15H18IN
Molecular Weight:339.219
Hs Code.:
DSSTox Substance ID:DTXSID201239351
Nikkaji Number:J1.856.767I

Synonyms:DTXSID201239351;1-(2-Iodophenethyl)cyclohexanecarbonitrile;1-[2-(2-Iodophenyl)ethyl]cyclohexanecarbonitrile;495414-07-8

Suppliers and Price of 1-(2-Iodophenethyl)cyclohexanecarbonitrile

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

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Chemical Property of 1-(2-Iodophenethyl)cyclohexanecarbonitrile

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:339.04840
Heavy Atom Count:17
Complexity:285

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC(CC1)(CCC2=CC=CC=C2I)C#N

Technology Process of 1-(2-Iodophenethyl)cyclohexanecarbonitrile

There total 4 articles about 1-(2-Iodophenethyl)cyclohexanecarbonitrile 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: 31.0%

: 105952-36-1
1-iodo-2-(2-iodoethyl)-benzene

: 766-05-2
cyclohexane carbonitrile

: 495414-07-8
1-(2-iodophenethyl)cyclohexanecarbonitrile

Guidance literature:: cyclohexane carbonitrile; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

1-iodo-2-(2-iodoethyl)-benzene; In tetrahydrofuran; hexane; at -78 - 20 ℃; Further stages.;
DOI:10.1021/jo0262006

Reference yield:

: 26059-40-5
2-(2-iodophenyl)ethan-1-ol

: 495414-07-8
1-(2-iodophenethyl)cyclohexanecarbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: Et₃N / CH₂Cl₂ / 0 - 20 °C

2.1: NaI / acetone / Heating

3.1: n-BuLi; i-Pr₂NH / hexane; tetrahydrofuran / 1 h / -78 °C

3.2: 31 percent / tetrahydrofuran; hexane / -78 - 20 °C

With n-butyllithium; triethylamine; diisopropylamine; sodium iodide; In tetrahydrofuran; hexane; dichloromethane; acetone;
DOI:10.1021/jo0262006

Reference yield:

: 18698-96-9
o-iodophenylacetic acid

: 495414-07-8
1-(2-iodophenethyl)cyclohexanecarbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1.1: BH₃*SMe₂ / tetrahydrofuran / 0 - 20 °C

2.1: Et₃N / CH₂Cl₂ / 0 - 20 °C

3.1: NaI / acetone / Heating

4.1: n-BuLi; i-Pr₂NH / hexane; tetrahydrofuran / 1 h / -78 °C

4.2: 31 percent / tetrahydrofuran; hexane / -78 - 20 °C

With n-butyllithium; dimethylsulfide borane complex; triethylamine; diisopropylamine; sodium iodide; In tetrahydrofuran; hexane; dichloromethane; acetone;
DOI:10.1021/jo0262006