CAS No.181587-01-9,ETHIPROLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	181587-01-9
Name:	ETHIPROLE
Article Data:	5

Formula:	C₁₃H₉Cl₂F₃N₄OS
Molecular Weight:	397.208
Synonyms:	5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)pyrazole-3-carbonitrile;Kirappu;RPA 107382;
EINECS:	446-630-3
Density:	1.691 g/cm³
Melting Point:	~174°
Boiling Point:	563.464 °C at 760 mmHg
Flash Point:	294.572 °C
Solubility:	9.2mg/L at 20℃
Appearance:	white powder
Hazard Symbols:	T, N
Risk Codes:	23/24/25-48/25-50/53
Safety:	36/37-45-60-61
Transport Information:	UN2811 6.1/PG 3
PSA:	103.91000
LogP:	5.22618

Synthetic route

: 120068-56-6
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylthio-1H-pyrazole-3-carbonitrile

: 181587-01-9
ethiprole

Conditions

Conditions	Yield
With dihydrogen peroxide; trifluoroacetic acid In dichloromethane at 10 - 12℃; for 4h;	95%
With dihydrogen peroxide; acetic acid at 30℃; for 10h; Time; Temperature; Reagent/catalyst;

: 130755-46-3
4,4'-dithiobis [5-amino-3-cyano-1-{2,6-dichloro-4-(trifluoromethyl)phenyl}-1H-pyrazole]

: 181587-01-9
ethiprole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 89 percent / Na2S2O4; Na2HPO4 / dimethylformamide; H2O / 1 h / 20 °C 2: 95 percent / CF3COOH; aq. H2O2 / CH2Cl2 / 4 h / 10 - 12 °C View Scheme

: 181587-01-9
ethiprole

: 120068-68-0
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]4(ethylsulfonyl)-1H-pyrazole-3-carbonitrile

Conditions

Conditions	Yield
With potassium permanganate; magnesium sulfate In acetone at 20℃;	93%

: 3739-94-4
2,6-Pyridinedicarbonyl dichloride

: 181587-01-9
ethiprole

: N,N'-bis[3-cyano-4-ethylsulfinyl-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazolyl]-2,6-pyridinedicarboxamide

Conditions

Conditions	Yield
With triethylamine at 130℃; for 6h;	82.4%

: 124-63-0
methanesulfonyl chloride

: 181587-01-9
ethiprole

: C14H11Cl2F3N4O3S2

Conditions

Conditions	Yield
With pyridine at 20℃;	80.1%

: 181587-01-9
ethiprole

: 623151-90-6
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]4(ethylsulfinyl)-1H-pyrazole-3-carboxamide

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 25℃; for 4h;	72%

: 624-48-6
dimethyl cis-but-2-ene-1,4-dioate

: 181587-01-9
ethiprole

: methyl-6-chloro-2-cyano-3-(ethylsulfinyl)-5-(2-methoxy-2-oxoethyl)-8-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-5-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 50℃; for 3h;	72%

: 7169-34-8
3-oxo-2,3-dihydrobenzo[b]furan

: 181587-01-9
ethiprole

: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-cyano-5-[(2,3-dihydro-1-benzofuran-3-ylidene)amino]-4-ethylsulfinylpyrazole

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 1h; Molecular sieve; Microwave irradiation; Sealed tube;	71%

: 181587-01-9
ethiprole

: 120068-56-6
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylthio-1H-pyrazole-3-carbonitrile

Conditions

Conditions	Yield
With trifluoroacetic anhydride; sodium iodide In acetone at 0 - 20℃; for 8h;	64%

: 108-85-0
1-bromocyclohexane

: 181587-01-9
ethiprole

: N-5-cyclohexylamino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-ethylsulfinyl-1H-pyrazole

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran at 20℃; for 3h; Sonication; Microwave irradiation; Heating;	9.3%

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Specification

The IUPAC name of Ethiprole is 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile. With the CAS registry number 181587-01-9, it is also named as 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-. It is white powder which is a kind of insecticides. And it has high insecticidal activity to aphids, Leafhoppers, planthoppers, Lepidoptera larvae, flies and important insects of Coleoptera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 289; (8)ACD/KOC (pH 7.4): 289; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.655; (13)Molar Refractivity: 86.137 cm³; (14)Molar Volume: 234.875 cm³; (15)Polarizability: 34.148×10^-24 cm³; (16)Surface Tension: 57.276 dyne/cm; (17)Enthalpy of Vaporization: 84.681 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Tautomer Count: 3; (21)Exact Mass: 395.982622; (22)MonoIsotopic Mass: 395.982622; (23)Topological Polar Surface Area: 104; (24)Heavy Atom Count: 24.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.

People can use the following data to convert to the molecule structure.
1. SMILES: FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(=O)CC)c(Cl)c2;
2. InChI: InChI=1/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3.