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Allethrolone

Allethrolone structure

CAS No:
29605-88-7
Formula:
C9H12O2
Chemical Name:
Allethrolone
Synonyms:
2-Cyclopenten-1-one,4-hydroxy-3-methyl-2-(2-propen-1-yl)-;2-Cyclopenten-1-one,2-allyl-4-hydroxy-3-methyl-,(±)-;2-Cyclopenten-1-one,4-hydroxy-3-methyl-2-(2-propenyl)-,(±)-;2-Cyclopenten-1-one,4-hydroxy-3-methyl-2-(2-propenyl)-;4-Hydroxy-3-methyl-2-(2-propen-1-yl)-2-cyclopenten-1-one;dl-Allethrolone;(±)-Allethrolone;Allethrolone;(RS)-Allethrolone;(RS)-4-Hydroxy-3-methyl-2-(2-propenyl)-2-cyclopenten-1-one;2-Allyl-3-methyl-2-cyclopenten-1-on-4-ol;2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one;(±)-ALON;4-Hydroxy-3-methyl-2-(2-propenyl)-2-cyclopenten-1-one;NSC 42192;551-45-1
Categories:
Agrochemicals > Pesticide Intermediates

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Allethrolone Basic Attributes

Molecular Weight：

152.19

Exact Mass：

152.19

EC Number：

249-724-0

NSC Number：

42192

Characteristics

PSA：

37.3

XLogP3：

1.21270

Density：

1.082g/cm3

Boiling Point：

100-103 °C @ Press: 0.15 Torr

Flash Point：

115.2ºC

Refractive Index：

1.533

Vapor Pressure：

0.001mmHg at 25°C

Safety Information

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H400

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-hydroxy-3-methyl-2-(2-propenyl)-2- cyclopenten-1-one

Allethrolone Use and Manufacturing

Methods of Manufacturing

Its synthesis method is similar to that of allyl alcohol ketone. It also uses 2-methylfuran as a raw material to form 5-methylfurfural through formylation, and then reacts with a Grignard reagent generated from bromopropyne or chloropropyne to obtain it by hydrolysis 2-(1-hydroxy-3-butynyl)-5-methylfuran, the compound is further rearranged in the buffer solution to obtain 2-propargyl-3-methyl-3-hydroxy-4- Cyclopenten-1-one, under the same conditions, adjust the aqueous solution to alkaline reaction, transposition to produce 2-propargyl-3-methyl-4-hydroxy-2-cyclopenten-1-one.

Uses

Allyl alcohol ketone (±)2-propenyl-3-methyl-4-hydroxy-2-cyclopenten-1-one is an important intermediate for the hygienic insecticide allethrin.

Manufacturing Info：

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-: ACTIVE

Computed Properties

Molecular Weight:152.19
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:152.083729621
Monoisotopic Mass:152.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:226
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

2-Methylfuran

Dimethylformamide

Furfuryl alcohol