41169-33-9

Basic information

• Product Name: 1,3-Cyclohexadiene, 2,6,6-trimethyl-
• CAS NO: 41169-33-9
• Molecular Formula: C9H14
• Molecular Weight: 122.21
• Mol File: 41169-33-9.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 1,3-Cyclohexadiene, 2,6,6-trimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Cyclohexadiene, 2,6,6-trimethyl-(41169-33-9)
• EPA Substance Registry System: 1,3-Cyclohexadiene, 2,6,6-trimethyl-(41169-33-9)

Safety Data

• Hazardous Substances Data: 41169-33-9(Hazardous Substances Data)

Upstream product

• 13395-71-6 2,4,4-trimethyl-2-cyclohexenone 
• 1576-35-8 toluene-4-sulfonic acid hydrazide 
• 470-99-5 isophorol 
• 25866-59-5 1,5,5-trimethylcyclohexa-1,3-diene 
• 19687-18-4 acetic acid 3,5,5-trimethylcyclohex-2-enyl ester 
• 64-17-5 ethanol 
• 71-23-8 propan-1-ol 
• 67-56-1 methanol 
• 78-59-1 3,5,5-Trimethylcyclohex-2-en-1-one 
• 917-54-4 methyllithium 
• 408534-44-1 C₁₆H₂₂N₂O₂S 

Downstream Products

• 28102-24-1 (E)-2,6,6-Trimethyl-α-(1-propenyl)-2-cyclohexene-1-methanol 
• 1731-26-6 1,3,5-trimethyl-2,4-cyclohexadiene 
• 108-38-3 m-xylene 
• 108-67-8 1,3,5-trimethyl-benzene 
• 17063-17-1 dihydroactinidiolide 
• 17092-92-1 (7aR)-5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone 
• 199727-75-8 Toluene-4-sulfonic acid (3S,3aR,7aR)-4,4,7a-trimethyl-2-oxo-2,3,3a,4,5,7a-hexahydro-benzofuran-3-yl ester 
• 24720-09-0 α-damascone 
• 25866-59-5 1,5,5-trimethylcyclohexa-1,3-diene 

Relevant articles and documents

Reduction of alkyl and vinyl sulfonates using the CuCl2· 2H2O-Li-DTBB(cat.) system

The reduction of a series of alkyl mesylates, dimesylates and triflates to the corresponding hydrocarbons was efficiently performed using a reducing system composed of CuCl2·2H2O, an excess of lithium sand and a catalytic amount (5 mol%) of 4,4′-di-tert-butylbiphenyl (DTBB), in tetrahydrofuran at room temperature. The process was also applied to enol and dienol triflates affording alkenes and dienes, respectively. The use of the deuterated copper salt CuCl2·2D2O allowed the simple preparation of the corresponding deuterated products.

Reaction of cyclic allylic acetates with aliphatic alcohols in the presence of cerium(III) chloride

The reactions of selected allylic acetates with methanol, ethanol, n-propyl alcohol, isopropyl alcohol and tert-butyl alcohol in the presence of catalytic amounts of cerium(III) chloride are described. Allylic alkyl ethers, bis-allylic ethers and 1,3-dienes were obtained depending on the structure of the acetates.

Synthesis of Alkyl Allylic Ethers and 1,3-Dienes by the Reaction of Conjugated Cyclohexenones with Sodium Borohydride-Cerium(III) Chloride in Aliphatic Alcohols

The reaction of conjugated cyclohexenones 1,3-containing 3-methyl-2-en-1-one moiety with NaBH4/CeCl3*7H2O in primary aliphatic alcohols (MeOH, EtOH, n-PrOH) affords alkyl allylic ethers and 1,3-dienes.In isopropanol or tert-butanol only 1,3-dienes are obtained.Ketones 4-6 containing 2-methyl-2-en-1-one moiety are reduced under the same conditions to the corresponding allylic alcohols irrespective of the alcohol used.Key words: reduction, α,β-unsaturated ketones, allylic alcohols, alkyl allylic ethers, sodium borohydride, cerium(III) chloride