1,2-Diethyl-4,5-dimethylcyclohexa-1,4-diene

Base Information

Chemical Name:1,2-Diethyl-4,5-dimethylcyclohexa-1,4-diene
CAS No.:87226-82-2
Molecular Formula:C12H20
Molecular Weight:164.291
Hs Code.:
DSSTox Substance ID:DTXSID10573755
Nikkaji Number:J1.499.425D
Wikidata:Q82462575

Synonyms:1,2-Diethyl-4,5-dimethylcyclohexa-1,4-diene;87226-82-2;DTXSID10573755

Suppliers and Price of 1,2-Diethyl-4,5-dimethylcyclohexa-1,4-diene

Supply Marketing:

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

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Chemical Property of 1,2-Diethyl-4,5-dimethylcyclohexa-1,4-diene

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:164.156500638
Heavy Atom Count:12
Complexity:204

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(CC(=C(C1)C)C)CC

Technology Process of 1,2-Diethyl-4,5-dimethylcyclohexa-1,4-diene

There total 3 articles about 1,2-Diethyl-4,5-dimethylcyclohexa-1,4-diene 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: 98.0%

: 928-49-4
hex-3-yne

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: 87226-82-2
1,2-diethyl-4,5-dimethylcyclohexa-1,4-diene

Guidance literature:: With tetrabutylammonium borohydride; zinc(II) iodide; cobalt(II) bromide-[1,2-bis(diphenylphosphino)ethane]; for 4h;
DOI:10.1016/S0040-4039(01)00289-1

Reference yield:

: 41626-27-1
3-hexyne, dicobalt-hexacarbonyl complex

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: 19961-07-0
1,2-diethyl-4,5-dimethyl-benzene

: 87226-82-2
1,2-diethyl-4,5-dimethylcyclohexa-1,4-diene

Guidance literature:: With 4-methylmorpholine N-oxide; In acetonitrile; at 20 ℃; for 29h; Overall yield = 60 %; Overall yield = 25 mg; Inert atmosphere;
DOI:10.1021/acs.orglett.5b01984

Reference yield:

: 928-49-4
hex-3-yne

: 87226-82-2
1,2-diethyl-4,5-dimethylcyclohexa-1,4-diene

Guidance literature:: Multi-step reaction with 2 steps

1: dichloromethane / 20 °C / Inert atmosphere

2: 4-methylmorpholine N-oxide / acetonitrile / 29 h / 20 °C / Inert atmosphere

With 4-methylmorpholine N-oxide; In dichloromethane; acetonitrile;
DOI:10.1021/acs.orglett.5b01984