9,9-Dimethylspiro[4.5]decan-7-one

Base Information

Chemical Name:9,9-Dimethylspiro[4.5]decan-7-one
CAS No.:63858-64-0
Molecular Formula:C12H20O
Molecular Weight:180.2866
Hs Code.:2914299000
DSSTox Substance ID:DTXSID70554464
Wikidata:Q82435466

Synonyms:9,9-dimethylspiro[4.5]decan-7-one;63858-64-0;9,9-Dimethylspiro[4,5]decan-7-one;DTXSID70554464;7,7-dimethyl-spiro[4.5]decan-9-one

Suppliers and Price of 9,9-Dimethylspiro[4.5]decan-7-one

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

Total 2 raw suppliers

Chemical Property of 9,9-Dimethylspiro[4.5]decan-7-one

Chemical Property:

PSA：17.07000
LogP:3.32600
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:180.151415257
Heavy Atom Count:13
Complexity:221

Purity/Quality:: >98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=O)CC2(C1)CCCC2)C

Technology Process of 9,9-Dimethylspiro[4.5]decan-7-one

There total 4 articles about 9,9-Dimethylspiro[4.5]decan-7-one 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: 72.0%

: 17530-69-7
3-chloro-5,5-dimethylcyclohex-2-en-1-one

: 2123-72-0
1,4-dilithiobutane

: 63858-64-0
9,9-dimethyl-spiro[4.5]decan-7-one

Guidance literature:: 1,4-dilithiobutane; With copper(I) thiophenolate; In tetrahydrofuran; diethyl ether; at -78 - -15 ℃; Inert atmosphere;

3-chloro-5,5-dimethylcyclohex-2-en-1-one; In tetrahydrofuran; diethyl ether; at -20 - -15 ℃; Inert atmosphere;
DOI:10.15227/orgsyn.070.0204

Reference yield:

: 17530-69-7
3-chloro-5,5-dimethylcyclohex-2-en-1-one

: C₁₆H₁₈Cu₂S₂

: 63858-64-0
9,9-dimethyl-spiro[4.5]decan-7-one

Guidance literature:: With copper(I) thiophenolate; In tetrahydrofuran; diethyl ether; at -20 - -15 ℃; for 1h; Inert atmosphere;
DOI:10.15227/orgsyn.070.0204

Reference yield:

: 126-81-8
dimedone

: 63858-64-0
9,9-dimethyl-spiro[4.5]decan-7-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: oxalyl dichloride / toluene / 60 - 70 °C

2.1: copper(I) thiophenolate / tetrahydrofuran; diethyl ether / -78 - -15 °C / Inert atmosphere

2.2: -20 - -15 °C / Inert atmosphere

With oxalyl dichloride; copper(I) thiophenolate; In tetrahydrofuran; diethyl ether; toluene;
DOI:10.15227/orgsyn.070.0204