Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI)

Base Information

Chemical Name:Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI)
CAS No.:179249-43-5
Molecular Formula:C₉H₁₆O₂
Molecular Weight:156.225
Hs Code.:
DSSTox Substance ID:DTXSID40441655
Mol file:179249-43-5.mol

Synonyms:179249-43-5;3-Hydroperoxy-1-propan-2-ylcyclohexene;Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI);DTXSID40441655

Suppliers and Price of Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI)

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
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price

Total 2 raw suppliers

Chemical Property of Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI)

Chemical Property:

PSA：29.46000
LogP:2.61090
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:156.115029749
Heavy Atom Count:11
Complexity:150

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI)

There total 9 articles about Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI) 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:

: 6-isopropylcyclohex-3-en-1-ol

: 179249-43-5
3-hydroperoxy-1-isopropylcyclohexene

Guidance literature:: Multi-step reaction with 3 steps

1: 62 percent / n-BuLi / diethyl ether; tetrahydrofuran / 1.) 0 deg C, 1 h, 2.) room temperature, 12 h

2: 50 percent / 105 °C

3: 1.) O₂, tetraphenylporphyrin, 2.) potassium azodicarboxylate, HOAc / 1.) CH₂Cl₂, irradiation, -78 deg C, 5 h, 2.) CH₂Cl₂, -78 deg C, 30 min; room temperature, overnight

With n-butyllithium; oxygen; potassium diazodicarboxylate; 5,15,10,20-tetraphenylporphyrin; acetic acid; In tetrahydrofuran; diethyl ether;
DOI:10.1021/jo9604292

Reference yield:

: (3R,3aR,7aR)-3-Methyl-3a,4,7,7a-tetrahydro-3H-benzofuran-2-one

: 179249-43-5
3-hydroperoxy-1-isopropylcyclohexene

Guidance literature:: Multi-step reaction with 6 steps

1: 81 percent / DIBAL / toluene / 2 h / -78 °C

2: 91 percent / BF₃*OEt₂ / CH₂Cl₂ / 2 h / Ambient temperature

3: 46 percent / acetone, Raney Ni / ethanol / 12 h / Heating

4: 62 percent / n-BuLi / diethyl ether; tetrahydrofuran / 1.) 0 deg C, 1 h, 2.) room temperature, 12 h

5: 50 percent / 105 °C

6: 1.) O₂, tetraphenylporphyrin, 2.) potassium azodicarboxylate, HOAc / 1.) CH₂Cl₂, irradiation, -78 deg C, 5 h, 2.) CH₂Cl₂, -78 deg C, 30 min; room temperature, overnight

With n-butyllithium; boron trifluoride diethyl etherate; oxygen; potassium diazodicarboxylate; 5,15,10,20-tetraphenylporphyrin; nickel; diisobutylaluminium hydride; acetic acid; acetone; In tetrahydrofuran; diethyl ether; ethanol; dichloromethane; toluene;
DOI:10.1021/jo9604292

Reference yield:

: 34905-87-8
3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one

: 179249-43-5
3-hydroperoxy-1-isopropylcyclohexene

Guidance literature:: Multi-step reaction with 7 steps

1: 55 percent / 1,10-phenanthrolein, diisopropylamine, n-BuLi / tetrahydrofuran / 1.) 0 deg C, 30 min, 2.) -78 deg C, 30 min, 3.) warm to room temperature, 2 h

2: 81 percent / DIBAL / toluene / 2 h / -78 °C

3: 91 percent / BF₃*OEt₂ / CH₂Cl₂ / 2 h / Ambient temperature

4: 46 percent / acetone, Raney Ni / ethanol / 12 h / Heating

5: 62 percent / n-BuLi / diethyl ether; tetrahydrofuran / 1.) 0 deg C, 1 h, 2.) room temperature, 12 h

6: 50 percent / 105 °C

7: 1.) O₂, tetraphenylporphyrin, 2.) potassium azodicarboxylate, HOAc / 1.) CH₂Cl₂, irradiation, -78 deg C, 5 h, 2.) CH₂Cl₂, -78 deg C, 30 min; room temperature, overnight

With n-butyllithium; 1,10-Phenanthroline; boron trifluoride diethyl etherate; oxygen; potassium diazodicarboxylate; 5,15,10,20-tetraphenylporphyrin; nickel; diisobutylaluminium hydride; acetic acid; diisopropylamine; acetone; In tetrahydrofuran; diethyl ether; ethanol; dichloromethane; toluene;
DOI:10.1021/jo9604292