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CAS No.: | 271241-14-6 |
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Name: | Dimefluthrin |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C19H22F4O3 |
Molecular Weight: | 374.375 |
Synonyms: | Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl ester (9CI);2,3,5,6-Tetrafluoro-4-(methoxymethyl)benzyl2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate;4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl 3-(2-methyl-1-propenyl)-2,2-dimethylcyclopropanecarboxylate;[2,3,5,6-Tetrafluoro-4-(methoxymethyl)phenyl]methyl2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate; |
EINECS: | 200-001-8 |
Density: | 1.255 g/cm3 |
Boiling Point: | 352.4 °C at 760 mmHg |
Flash Point: | 161.4 °C |
PSA: | 71.06000 |
LogP: | 9.34200 |
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcohol
chrysanthemumic acid
A
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Conditions | Yield |
---|---|
Stage #1: 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcohol With zircornium(IV) n-propoxide In propan-1-ol; xylene at 143 - 145℃; Stage #2: chrysanthemumic acid With 2,6-di-tert-butyl-4-methyl-phenol In propan-1-ol; xylene at 145 - 147℃; for 8h; Product distribution / selectivity; | A 97% B n/a |
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcohol
chrysanthemumic acid
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Conditions | Yield |
---|---|
In 5,5-dimethyl-1,3-cyclohexadiene | 70% |
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcohol
zirconium(IV) chloride
chrysanthemumic acid
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Conditions | Yield |
---|---|
In 5,5-dimethyl-1,3-cyclohexadiene | 68% |
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcohol
(1R)-trans-3-(2-methyl-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid chloride
(1R)-cis-3-(2-methyl-1-propenyl)-2,2-dimethylcyclopropanecarboxylic chloride
(1S)-trans-chrysanthemumic acid-chloride
(1S)-cis-3-(2-methyl-1-propenyl)-2,2-dimethylcyclopropanecarboxylic chloride
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Conditions | Yield |
---|---|
In tetrahydrofuran at 0 - 20℃; for 8h; |
chrysanthemumic acid
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Conditions | Yield |
---|---|
In propan-1-ol; xylene at 145 - 147℃; for 8h; Product distribution / selectivity; |
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcohol
3-(2-methyl-1-propenyl)-2,2-dimethylcyclopropanecarbonyl chloride
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Conditions | Yield |
---|---|
With pyridine In tetrahydrofuran |
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
4-methoxymethyl-2,3,5,6-tetrafluorobenzyl 2,2-dimethyl-3-formylcyclopropanecarboxylate
Conditions | Yield |
---|---|
With osmium(VIII) oxide; potassium metaperiodate In tetrahydrofuran; 1,4-dioxane; water at 20℃; for 2h; Heating / reflux; |
The Dimefluthrin is an organic compound with the formula C19H22F4O3. The systematic name of this chemical is 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate. With the CAS registry number 271241-14-6, it is also named as cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl ester. The product's classification code is Insecticides.
Physical properties about Dimefluthrin are: (1)CD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 35.53 Å2; (6)Index of Refraction: 1.516; (7)Molar Refractivity: 90.08 cm3; (8)Molar Volume: 298.1 cm3; (9)Polarizability: 35.71×10-24cm3; (10)Surface Tension: 38.8 dyne/cm; (11)Density: 1.255 g/cm3; (12)Flash Point: 161.4 °C; (13)Enthalpy of Vaporization: 59.73 kJ/mol; (14)Boiling Point: 352.4 °C at 760 mmHg; (15)Vapour Pressure: 3.84E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(c(F)c(F)c1COC(=O)C2C(/C=C(/C)C)C2(C)C)COC
(2)InChI: InChI=1/C19H22F4O3/c1-9(2)6-12-13(19(12,3)4)18(24)26-8-11-16(22)14(20)10(7-25-5)15(21)17(11)23/h6,12-13H,7-8H2,1-5H3
(3)InChIKey: OOWCJRMYMAMSOH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C19H22F4O3/c1-9(2)6-12-13(19(12,3)4)18(24)26-8-11-16(22)14(20)10(7-25-5)15(21)17(11)23/h6,12-13H,7-8H2,1-5H3
(5)Std. InChIKey: OOWCJRMYMAMSOH-UHFFFAOYSA-N