8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

Base Information

Chemical Name:8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CAS No.:61749-06-2
Molecular Formula:C17H21NO4
Molecular Weight:303.358
Hs Code.:
DSSTox Substance ID:DTXSID20358853
Wikidata:Q82139736
ChEMBL ID:CHEMBL4963601

Synonyms:61749-06-2;8-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile;Oprea1_587206;CHEMBL4963601;DTXSID20358853;1,4-Dioxaspiro[4.5]decane-8-carbonitrile, 8-(3,4-dimethoxyphenyl)-;STL328951;AKOS022116019

Suppliers and Price of 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

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
8-(3,4-DIMETHOXYPHENYL)-1,4-DIOXASPIRO[4.5]DECANE-8-CARBONITRILES 95.00%
5MG
$ 498.27

Total 0 raw suppliers

Chemical Property of 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

Chemical Property:

PSA：60.71000
LogP:2.78228
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:303.14705815
Heavy Atom Count:22
Complexity:427

Purity/Quality:: 8-(3,4-DIMETHOXYPHENYL)-1,4-DIOXASPIRO[4.5]DECANE-8-CARBONITRILES 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C2(CCC3(CC2)OCCO3)C#N)OC

Technology Process of 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

There total 6 articles about 8-(3,4-Dimethoxyphenyl)-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: 90.3%

: 61749-06-2
8-(3,4-dimethoxy-phenyl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrile

Guidance literature:

Reference yield: 90.0%

: 25115-75-7
4-cyano-4-(4-chlorophenyl)cyclohexanone

: 61749-06-2
8-(3,4-dimethoxy-phenyl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrile

Guidance literature:: With toluene-4-sulfonic acid; In diethyl ether; 4-(3,4-dimethoxyphenyl)-4-cyanocyclohexanone; ethylene glycol; benzene;

Reference yield:

: 93-17-4
3,4-dimethoxyphenylacetonitrile

: 61749-06-2
8-(3,4-dimethoxy-phenyl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: methanol. KOH; tert-butyl alcohol

2: methanol. HCl

3: potassium-sodium-alloy; toluene / anschliessendes Behandeln mit wss. HCl und Essigsaeure

4: toluene; benzenesulfonic acid / unter Entfernen des entstehenden Wassers

With hydrogenchloride; potassium hydroxide; potassium Sodium; toluene; benzenesulfonic acid; tert-butyl alcohol;
DOI:10.1021/ja01123a056