8-(4-Bromophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

Base Information

Chemical Name:8-(4-Bromophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CAS No.:65619-32-1
Molecular Formula:C15H16BrNO2
Molecular Weight:322.202
Hs Code.:
DSSTox Substance ID:DTXSID401193525

Synonyms:65619-32-1;8-(4-Bromophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile;DTXSID401193525

Suppliers and Price of 8-(4-Bromophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

Supply Marketing:

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

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Chemical Property of 8-(4-Bromophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:321.03644
Heavy Atom Count:19
Complexity:365

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2(CCC1(C#N)C3=CC=C(C=C3)Br)OCCO2

Technology Process of 8-(4-Bromophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

There total 3 articles about 8-(4-Bromophenyl)-1,4-dioxaspiro[4.5]decane-8-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: 96.0%

: 65619-28-5
1-(4-bromophenyl)-4-oxocyclohexane-1-carbonitrile

: 107-21-1
ethylene glycol

: 65619-32-1
8-(4-Bromo-phenyl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrile

Guidance literature:: With toluene-4-sulfonic acid; In benzene; for 6h; Heating;
DOI:10.1021/jm00178a014

Reference yield:

: 65619-24-1
4-(p-Bromphenyl)-2-carbomethoxy-4-cyano-cyclohexanon

: 65619-32-1
8-(4-Bromo-phenyl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / aq. H₂SO₄ / acetic acid / 24 h / Heating

2: 96 percent / TsOH / benzene / 6 h / Heating

With sulfuric acid; toluene-4-sulfonic acid; In acetic acid; benzene;
DOI:10.1021/jm00178a014

Reference yield:

: 16532-79-9
4-Bromophenylacetonitrile

: 65619-32-1
8-(4-Bromo-phenyl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium tert-butylate / tetrahydrofuran / 3 h / 20 °C

1.2: 2 h / 150 °C

2.1: toluene-4-sulfonic acid / toluene / Reflux

With potassium tert-butylate; toluene-4-sulfonic acid; In tetrahydrofuran; toluene;