1000-30-2

Basic information

• Product Name: 2,2,5-trimethylhex-4-enal
• Synonyms: 2,2,5-trimethylhex-4-enal;2,2,5-Trimethyl-4-hexenal;4-Hexenal,2,2,5-trimethyl-
• CAS NO: 1000-30-2
• Molecular Formula: C₉H₁₆O
• Molecular Weight: 140.22274
• EINECS: 213-670-6
• Mol File: 1000-30-2.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 183.3°Cat760mmHg
• Flash Point: 57.5°C
• Appearance: /
• Density: 0.835g/cm³
• Vapor Pressure: 0.777mmHg at 25°C
• Refractive Index: 1.434
• CAS DataBase Reference: 2,2,5-trimethylhex-4-enal(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,5-trimethylhex-4-enal(1000-30-2)
• EPA Substance Registry System: 2,2,5-trimethylhex-4-enal(1000-30-2)

Safety Data

• Hazardous Substances Data: 1000-30-2(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron Letters, 19, p. 491, 1978 DOI: 10.1016/S0040-4039(01)91464-9

InChI:InChI=1/C9H16O/c1-8(2)5-6-9(3,4)7-10/h5,7H,6H2,1-4H3

Upstream product

• 4541-35-9 2,2,5,5-tetramethylcyclopentanone 
• 6852-60-4 N-tert-butyl-2-methylpropanimine 
• 78-79-5 isoprene 
• 53516-62-4 N-butyl-N-isobutyl-2-methylprop-1-enamine 
• 870-63-3 prenyl bromide 
• 83974-01-0 ethyl 2,2,5,5-tetramethylpent-4-enoate 
• 53965-16-5 2,2,5,5-tetramethylpent-4-en-1-ol 
• 78-84-2 isobutyraldehyde 
• 503-60-6 3,3-dimethyl-allyl chloride 
• 115-18-4 2-methyl-3-buten-2-ol 
• 91076-35-6 N-(2-methylpropylidene)-2-methyl-2-propanamine 

Downstream Products

• 1891-45-8 7-epihimachalol 
• 67682-25-1 4-Brom-benzolsulfonsaeure-<1,2,2,5-tetramethyl-hex-4-enylester> 
• 1070859-40-3 C₂₁H₃₃N 
• 128600-86-2 1,2-dichloro-3,3,6,6-tetramethyl-1-cyclohexene 
• 127861-74-9 1-(5-Hydroxy-2,2,5-trimethyl-cyclohexyl)-propan-2-one 

Relevant articles and documents

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PREPARATION OF PRECURSORS OF CARBENES OF CAAC TYPE AND PREPARING SAID CARBENES THEREFROM

Precursors of carbenes of CAAC type (Cyclic)(Alkyl)(Amino)(Carbenes) are prepared and carbenes are produced therefrom; novel synthesis intermediates are provided for preparing the precursors of CAAC-type carbenes.

Mechanistic dichotomy in CpRu(CH3CN)3PF6 catalyzed enyne cycloisomerizations

Enynes are easily accessible building blocks as a result of the rich chemistry of alkynes and thus represent attractive substrates for ring formation, A ruthenium catalyst for cycloisomerization effects such reaction of 1,6- and 1,7-enynes typically at room temperature in acetone or DMF under neutral conditions. The reaction is effective for forming five- and six-membered rings of widely divergent structure. The alkyne may bear both election-donating and election-withdrawing substituents. The alkene may be di- or trisubstituted. Introduction of a quaternary center at the propargylic position of an ynoate, however, completely changes the nature of the reaction. In the case of a 1,6-enynoate, a seven-membered ring forms in excellent yield under equally mild conditions. Evidence is presented to indicate a complete change in mechanism. In the former case, the reaction involves the intermediacy of a ruthenacyclopentene. In the latter case, a C-H insertion to form a π-allylruthenium intermediate is proposed and supported by deuterium-labeling studies. A rationale is presented for the structural dependence of the mechanism.

Cyclic and Acyclic Products from the Addition of 1-Aza-Allyl Anions to Dienes and α,β-Unsaturated Ketones - Regioselectivity

Addition of 1-aza-allyl-lithium compound 1 to isoprene at low temperature yields two regioisomeric γ,δ-unsaturated imines 3, whereas at THF reflux temperature the cyclic regioisomeric cyclohexene derivatives 4 are formed.With 2,3-dimethylbutadiene, the ac