70905-68-9

Basic information

• Product Name: 1,4-Cyclohexandiol, 1-(5-hydroxy-3-methyl-3-penten-1-ynyl)-2,2,6-trimethyl-, [1S-[1alpha,1(E),4alpha,6beta]]
• Synonyms: 1,4-Cyclohexandiol, 1-(5-hydroxy-3-methyl-3-penten-1-ynyl)-2,2,6-trimethyl-, [1S-[1alpha,1(E),4alpha,6beta]]
• CAS NO: 70905-68-9
• Molecular Formula: C₁₅H₂₄O₃
• Molecular Weight: 252.35
• Mol File: 70905-68-9.mol
• Article Data: 4

Chemical Properties

• Melting Point: 126-128 °C
• Boiling Point: 415.8±45.0 °C(Predicted)
• Appearance: /
• Density: 1.10±0.1 g/cm3(Predicted)
• PKA: 12.72±0.70(Predicted)
• CAS DataBase Reference: 1,4-Cyclohexandiol, 1-(5-hydroxy-3-methyl-3-penten-1-ynyl)-2,2,6-trimethyl-, [1S-[1alpha,1(E),4alpha,6beta]](CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-Cyclohexandiol, 1-(5-hydroxy-3-methyl-3-penten-1-ynyl)-2,2,6-trimethyl-, [1S-[1alpha,1(E),4alpha,6beta]](70905-68-9)
• EPA Substance Registry System: 1,4-Cyclohexandiol, 1-(5-hydroxy-3-methyl-3-penten-1-ynyl)-2,2,6-trimethyl-, [1S-[1alpha,1(E),4alpha,6beta]](70905-68-9)

Safety Data

• Hazardous Substances Data: 70905-68-9(Hazardous Substances Data)

Usage

Chemical structure

A complex chemical compound with a cyclohexane ring and a penten-1-ynyl group, as well as hydroxyl and methyl functional groups.

Stereochemistry

A stereo-specific compound with a particular arrangement of its atoms, including the [1S-[1alpha,1(E),4alpha,6beta]] configuration.

Functional groups

Contains hydroxyl (-OH) and methyl (-CH3) functional groups.

Molecular weight

Approximately 212 g/mol

Pharmaceuticals

Due to its unique structure and stereochemistry, it may have potential applications in the development of pharmaceutical compounds.

Polymers

The compound may be used in the production of polymers with specific properties.

Industrial chemicals

It could be utilized in the synthesis of various industrial chemicals.

Importance

The specific stereochemistry and structure of this compound make it important for certain chemical reactions and biological processes, potentially leading to novel applications and discoveries.

Solubility

The solubility of this compound is not explicitly mentioned in the provided material, but it is likely to be soluble in organic solvents due to its hydrocarbon nature.

Stability

The stability of this compound is not explicitly mentioned in the provided material, but it may be sensitive to certain conditions such as heat, light, or moisture, as many organic compounds are.

Safety

As with any chemical compound, appropriate safety precautions should be taken when handling this substance, including the use of personal protective equipment and proper disposal methods.

Upstream product

• 95307-31-6 2-trans-5-(4',4'-ethylenedioxy-1'-hydroxy-2',2',6'-trimethylcyclohexyl)-3-methylpent-2-en-4-yn-1-ol 
• 6153-06-6 (E)-3-methylpent-2-en-4-yn-1-ol 
• 14203-67-9 2,2,6-trimethyl-1,4-cyclohexanedione 4-ethylene acetal 
• 49846-56-2 2-trans-5-(1'-hydroxy-2',2',6'-trimethyl-4'-oxocyclohexyl)-3-methylpent-2-en-4-yn-1-ol 
• 95307-31-6 2-cis-5-(4',4'-ethylenedioxy-1'-hydroxy-2',2',6'-trimethylcyclohexyl)-3-methylpent-2-en-4-yn-1-ol 
• 26533-74-4 2-cis-1-acetoxy-5-(1'-hydroxy-2',2',6'-trimethyl-4'-oxocyclohexyl)-3-methylpent-2-en-4-yne 
• 49846-56-2 2-cis-5-(1'-hydroxy-2',2',6'-trimethyl-4'-oxocyclohexyl)-3-methylpent-2-en-4-yn-1-ol 
• 152125-31-0 (4R,6R)-2,2,6-Trimethyl-4-trimethylsilanyloxy-cyclohexanone 
• 20548-02-1 (4R,6R)-4-hydroxy-2,2,6-trimethylcyclohexan-1-one 
• 116-11-0 2-Methoxypropene 
• 80713-62-8 5-(1-methoxy-1-methylethoxy)-3-methyl-3E-penten-1-yne 

Downstream Products

• 95307-35-0 [(Z)-5-((1S,4R,6R)-1,4-Dihydroxy-2,2,6-trimethyl-cyclohexyl)-3-methyl-pent-2-en-4-ynyl]-triphenyl-phosphonium; bromide 
• 70905-70-3 <1R,4S,5R-(E)>-4-(5-Acetoxy-3-methylpent-3-en-1-ynyl)-4-hydroxy-3,3,5-trimethylcyclohexyl acetate 
• 152187-03-6 <1R,4R,5R-(E)>-4-(5-Acetoxy-3-methylpent-3-en-1-ynyl)-4-hydroxy-3,3,5-trimethylcyclohexyl acetate 
• 95343-51-4 2-cis-1-acetoxy-5-(4'-acetoxy-2',2',6'-trimethylcyclohex-1'-enyl)-3-methylpent-2-en-4-yne 
• 70905-70-3 Acetic acid (1R,4S,5R)-4-((Z)-5-acetoxy-3-methyl-pent-3-en-1-ynyl)-4-hydroxy-3,3,5-trimethyl-cyclohexyl ester 
• 70905-70-3 2-trans-5-(4'-acetoxy-1'-hydroxy-2',2',6'-trimethylcyclohexyl)-1-acetoxy-3-methylpent-2-en-4-yne 
• 98718-45-7 (R)-4-<(Z)-5-hydroxy-3-methylpent-3-en-1-ynyl>-3,5,5-trimethylcyclohex-3-enol 
• 98718-44-6 (R)-4-<(E)-5-hydroxy-3-methylpent-3-en-1-ynyl>-3,5,5-trimethylcyclohex-3-enol 
• 70905-69-0 2-trans-5-<(4'R)-4'-acetoxy-2',6',6'-trimethylcyclohex-1'-enyl>-3-methyl-2-penten-4-yn-1-yl acetate 
• 159171-18-3 2-E-5-((4'R)-4'-hydroxy-2',2',6'-trimethylcyclohex-1'-enyl)-3-methyl-2-penten-4-yn-1-al 
• 81749-12-4 (2Z,4E)-5-((1R,4R,6R)-1,4-Dihydroxy-2,2,6-trimethyl-cyclohexyl)-3-methyl-penta-2,4-dienal 
• 41967-83-3 Acetic acid (1R,4R,5R)-4-((1E,3Z)-5-acetoxy-3-methyl-penta-1,3-dienyl)-4-hydroxy-3,3,5-trimethyl-cyclohexyl ester 
• 95343-54-7 9-cis-3,6-dihydroxy-7,8-didehydro-5,6-dihydro-12'-apo-β-caroten-12'-al 
• 95343-58-1 9-cis-7,8-didehydro-5,6-dihydro-β,β-carotene-3,6-diol 

Relevant articles and documents

Total synthesis of acetylenic carotenoids-1. Synthesis of optically active 2-E-((4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-enyl)-3-methyl-2 -penten-4-yn- 1-al, a C15-synthon

The title compound was synthesised in the optically active form in seven steps from (4R,6R)-actinol in 34% overall yield. The relative configuration within the C15-key intermediate acet-ylenic triol, 2-E-5-((1S,4R,6R)-1,4- dihydroxy-2,2,6-trime

87. Technical Procedures for the Syntheses of Carotenoids and Related Compounds from 6-Oxo-isophorone: Syntheses of (3R,3'R)-Zeaxanthin Part I

Starting from the readily available, optically active (4R)-4-hydroxy-2,2,6-trimethylcyclohexanone (1), a new technical synthesis of (3R,3'R)-zeaxanthin is described.According to a 2(C9 + C6) + C10= C40 construction scheme, the ketone 1 was first transformed with (E)-3-methylpent-2-en-4-yn-1-ol (5) into a C15-intermediate which, by a three-step sequence, could be converted into the known olefinic C15-Wittig salt 4.Optimized conditions for the final Wittig reaction of 4 with the C10-dialdehyde 3 are discussed.Based on 1, the overall yield of the entire technical process is ca. 40percent.