178991-18-9 Usage
Molecular weight
164.2 g/mol
Chemical structure
Cyclohexane ring with two carbon-carbon double bonds (1,3 and 4,6 positions), a methyl group at the 6th position, a carboxylic acid group at the 1st position, and a methyl ester group attached to the carboxylic acid.
Optical isomer
(R)-enantiomer
Applications
a. Flavoring agent in food and beverage industry
b. Perfumes and fragrances
c. Potential use in pharmaceuticals and research
Aroma
Fruity and floral
Physical state
Likely a liquid at room temperature, based on molecular weight and structure
Solubility
Soluble in organic solvents like ethanol, methanol, and acetone
Stability
May be sensitive to heat, light, and oxidation, as it contains a carbon-carbon double bond and a carboxylic acid group
Safety
Potential irritant or allergen, depending on concentration and exposure; proper handling and storage required
Regulatory status
Classified under 9CI (Chemical Abstracts Service Registry Number) as a unique identifier for the compound
Stereochemistry
Chiral molecule with a specific (R)-configuration at the chiral center
Synthesis
Can be synthesized through various methods, such as the reaction of a suitable cyclohexane derivative with a methyl ester group and a carboxylic acid group
Purity
Typically synthesized with a high degree of purity, but may require further purification steps to remove impurities or byproducts
Check Digit Verification of cas no
The CAS Registry Mumber 178991-18-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,8,9,9 and 1 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 178991-18:
(8*1)+(7*7)+(6*8)+(5*9)+(4*9)+(3*1)+(2*1)+(1*8)=199
199 % 10 = 9
So 178991-18-9 is a valid CAS Registry Number.
178991-18-9Relevant academic research and scientific papers
Asymmetric tandem Michael addition-ylide olefination reaction for the synthesis of optically active cyclohexa-1,3-diene derivatives
Ye, Long-Wu,Wang, Shou-Bing,Wang, Qing-Gang,Sun, Xiu-Li,Tang, Yong,Zhou, Yong-Gui
supporting information; scheme or table, p. 3092 - 3094 (2009/12/01)
The reaction of a crotonate-derived chiral phosphonium salt with α,β-unsaturated carbonyl compounds in the presence of Cs 2CO3 affords optically active cyclohexa-1,3-diene derivatives with up to 90% ee in good yields. The Royal Socie
A formal synthesis of (-)-pumiliotoxin C
Davies, Stephen G.,Bhalay, Gurdip
, p. 1595 - 1596 (2007/10/03)
An asymmetric synthesis of an advanced intermediate in the synthesis of natural (-)-pumiliotoxin C has been achieved in six steps and in 61% overall yield employing as the key step a highly diastereoselective lithium amide 1,4-conjugate addition to a dien
