4-(8-Hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)benzonitrile

Base Information

Chemical Name:4-(8-Hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)benzonitrile
CAS No.:137464-95-0
Molecular Formula:C15H17NO3
Molecular Weight:259.305
Hs Code.:2932999099
DSSTox Substance ID:DTXSID20567100
Wikidata:Q82452886
Mol file:137464-95-0.mol

Synonyms:137464-95-0;4-(8-Hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)benzonitrile;4-(8-HYDROXY-1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-BENZONITRILE;YADTXWFCSNVQPN-UHFFFAOYSA-N;SCHEMBL743942;DTXSID20567100;AKOS015964170;2-(4-pyridyl)-4-amino-6-hydroxypyrimidine;4-(4'-Cyanophenyl)-4-hydroxycyclohexanone ethylene ketal;4-(8-Hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)benzonitrile

Suppliers and Price of 4-(8-Hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)benzonitrile

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4-(8-HYDROXY-1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-BENZONITRILE 95.00%
10MG
$ 885.31

Total 2 raw suppliers

Chemical Property of 4-(8-Hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)benzonitrile

Chemical Property:

PSA：62.48000
LogP:2.06298
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:259.12084340
Heavy Atom Count:19
Complexity:362

Purity/Quality:

97% ^*data from raw suppliers

4-(8-HYDROXY-1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(8-Hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)benzonitrile

There total 3 articles about 4-(8-Hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)benzonitrile 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: 70.0%

: 4746-96-7
1,4-dioxaspiro[4.5]decan-6-one

: 623-00-7
4-bromobenzenecarbonitrile

: 137464-95-0
4-(4'-cyanophenyl)-4-hydroxycyclohexanone ethylene ketal

Guidance literature:: In THF-hexane;

Reference yield:

: 4746-97-8
cyclohexanedione monoethylene ketal

: 137464-95-0
4-(4'-cyanophenyl)-4-hydroxycyclohexanone ethylene ketal

Guidance literature:: 4-iodobenzonitrile; With isopropylmagnesium chloride; In tetrahydrofuran; at -20 ℃; for 1.16667h;

cyclohexanedione monoethylene ketal; In tetrahydrofuran; at -20 - 25 ℃; for 1.33333h;

With water; ammonium chloride; In tetrahydrofuran; ethyl acetate;

Reference yield:

: 4746-97-8
cyclohexanedione monoethylene ketal

: 623-00-7
4-bromobenzenecarbonitrile

: 137464-95-0
4-(4'-cyanophenyl)-4-hydroxycyclohexanone ethylene ketal

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1.) THF, hexane, -100 deg C to -95 deg C, 10 min, 2.) THF, hexane, -100 deg C to -95 deg C, 10 min;
DOI:10.1021/jm00080a017