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2,3,4,5-四甲基-2-环戊烯酮

2,3,4,5-tetramethyl-2-cyclopentanone (cis+trans)

CAS: 54458-61-6

Molecular Formula: C9H14O

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2,3,4,5-四甲基-2-环戊烯酮 - Names and Identifiers

Name 2,3,4,5-tetramethyl-2-cyclopentanone (cis+trans)
Synonyms 2,3,4,5-TETRAMETHYLCYCLOPENT-2-ENONE
2,3,4,5-Tetramethyl-2-cyclopentenone
2,3,4,5-TETRAMETHYL-2-CYCLOPENTENONE
2,3,4,5-TETRAMETHYL-2-CYCLOPENTEN-1-ONE
2,3,4,5-tetramethylcyclopent-2-en-1-one
(4S,5S)-2,3,4,5-tetramethylcyclopent-2-en-1-one
(4R,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-one
(4R,5S)-2,3,4,5-tetramethylcyclopent-2-en-1-one
(4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-one
2,3,4,5-tetramethyl-2-cyclopentanone (cis+trans)
2,3,4,5-tetramethyl-2-cyclopentenone, cis + trans
2,3,4,5-tetramethyl-2-cyclopentenone, mixture of cis and trans
2,3,4,5-Tetramethyl-2-cyclopentenone (mixture of cis- and trans- isomers),
CAS 54458-61-6
EINECS 611-148-6
InChI InChI=1/C9H14O/c1-5-6(2)8(4)9(10)7(5)3/h5,7H,1-4H3/t5-,7-/m0/s1
InChIKey ARUAYSANQMCCEN-UHFFFAOYSA-N

2,3,4,5-四甲基-2-环戊烯酮 - Physico-chemical Properties

Molecular FormulaC9H14O
Molar Mass138.21
Density0.927g/mLat 20°C(lit.)
Boling Point100°C30mm Hg(lit.)
Flash Point164°F
Water SolubilityNot miscible with water.
Solubility Chloroform, Methanol
Vapor Presure0.406mmHg at 25°C
AppearanceOil
Specific Gravity0.917
ColorClear Colourless
BRN2324088
Storage ConditionKeep in dark place,Sealed in dry,Room Temperature
Refractive Indexn20/D 1.476
MDLMFCD00010248

2,3,4,5-四甲基-2-环戊烯酮 - Risk and Safety

Safety DescriptionS23 - Do not breathe vapour.
S24/25 - Avoid contact with skin and eyes.
S35 - This material and its container must be disposed of in a safe way.
S3/9/49 -
S43 - In case of fire use ... (there follows the type of fire-fighting equipment to be used.)
S36 - Wear suitable protective clothing.
S15 - Keep away from heat.
WGK Germany3
HS Code29142990

2,3,4,5-四甲基-2-环戊烯酮 - Reference Information

Application 2,3,4,5-tetramethyl-2-cyclopentenone is an important pharmaceutical intermediate that can be used as a functional material intermediate. It can be prepared by the reaction of ketone with trichloropropoxytitanium and acetaldehyde.
Preparation 2,3,4, 5-tetramethyl-2-cyclopentenone synthesis: In a round-bottom flask equipped with a mechanical stirrer, 200g(23.2mol) of the starting ketone is added to the dropping funnel and reflux condenser, of which 75% w/w butyl acetate is the solvent, 0.35 molar equivalent of anhydrous magnesium chloride and titanium containing 0.06 molar equivalent of trichloropropoxy titanium complex are catalytic solutions. The resulting suspension was agitated vigorously and heated to 90°C. Then 2 molar equivalents of acetaldehyde were added dropwise within 3 hours at 90°C. The reaction continued for another hour and cooled to 40°C. The reaction mixture was hydrolyzed with an aqueous solution of 10% acetic acid and neutralized with an aqueous solution of 20% potassium carbonate. The resulting organic phase was fractionated directly into a Sulzer packed column in the laboratory to obtain 2,3,4, 5-tetramethyl-2-cyclopentenone.
use functional material intermediate
Last Update：2024-04-09 20:49:11
2,3,4,5-四甲基-2-环戊烯酮
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2,3,4,5-四甲基-2-环戊烯酮
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