CAS No.4462-55-9,3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4462-55-9
Name:	3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
Article Data:	11

Formula:	C₁₁H₆Cl₃NO₂
Molecular Weight:	290.533
Synonyms:	3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarbonylchloride;
EINECS:	224-723-8
Density:	1.472 g/cm³
Melting Point:	92 °C
Boiling Point:	390.9 °C at 760 mmHg
Flash Point:	190.2 °C
Solubility:	22.98mg/L at 25℃
Appearance:	Yellow to brown powder
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45-36/37/39/45
PSA:	43.10000
LogP:	4.33580

Synthetic route

: 3919-76-4
3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid

: 4462-55-9
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide at 60℃;	94%
With phosphorus pentachloride at 45℃; for 1h;	84%
With thionyl chloride

: 83-38-5
2,6-dichlorobenzaldehyde

: 4462-55-9
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) NH2OH, (ii) Cl2, CHCl3, (iii) /BRN= 506727/, MeOH 2: aq. KOH / ethanol 3: SOCl2 View Scheme
Multi-step reaction with 5 steps 1.1: hydroxylamine sulfate / methanol / 0.5 h 1.2: 0.5 h / pH 8 - 9 / Reflux 2.1: chlorine / methanol / 0 - 5 °C 3.1: sodium hydroxide / methanol / 0.5 h / 0 - 5 °C / pH 10 3.2: 2 h / 0 - 20 °C / pH 9 4.1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux 5.1: phosphorus pentachloride / 1 h / 45 °C View Scheme
Multi-step reaction with 2 steps 1.1: hydroxylamine sulfate / methanol / 1 h / 20 - 40 °C 1.2: 24 h / 0 - 20 °C / pH ~ 9.5 / Inert atmosphere 1.3: pH ~ 7 - 7.5 2.1: phosphorus pentachloride / toluene View Scheme
Multi-step reaction with 5 steps 1: hydroxylamine hydrochloride; sodium hydroxide / water; ethanol / 0 - 90 °C 2: N-chloro-succinimide / N,N-dimethyl-formamide / 2 h / 20 °C 3: triethylamine / dichloromethane / 0 - 20 °C 4: lithium hydroxide monohydrate; water / ethanol / 50 °C 5: thionyl chloride; N,N-dimethyl-formamide / 60 °C View Scheme

SPB 06193: SPB 06193

: 4462-55-9
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. KOH / ethanol 2: SOCl2 View Scheme
Multi-step reaction with 2 steps 1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux 2: phosphorus pentachloride / 1 h / 45 °C View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide / water; methanol / 3 h 2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 40 °C View Scheme

: 6579-27-7
2,6-dichlorobenzohydroximoyl chloride

: 4462-55-9
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydroxide / methanol / 0.5 h / 0 - 5 °C / pH 10 1.2: 2 h / 0 - 20 °C / pH 9 2.1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux 3.1: phosphorus pentachloride / 1 h / 45 °C View Scheme
Multi-step reaction with 3 steps 1: triethylamine / dichloromethane / 0 - 20 °C 2: lithium hydroxide monohydrate; water / ethanol / 50 °C 3: thionyl chloride; N,N-dimethyl-formamide / 60 °C View Scheme

: 25185-95-9
2,6-dichlorobenzaldoxime

: 4462-55-9
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: chlorine / methanol / 0 - 5 °C 2.1: sodium hydroxide / methanol / 0.5 h / 0 - 5 °C / pH 10 2.2: 2 h / 0 - 20 °C / pH 9 3.1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux 4.1: phosphorus pentachloride / 1 h / 45 °C View Scheme
Multi-step reaction with 4 steps 1: N-chloro-succinimide / N,N-dimethyl-formamide / 2 h / 20 °C 2: triethylamine / dichloromethane / 0 - 20 °C 3: lithium hydroxide monohydrate; water / ethanol / 50 °C 4: thionyl chloride; N,N-dimethyl-formamide / 60 °C View Scheme

: 24248-21-3
ethyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

: 4462-55-9
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium hydroxide monohydrate; water / ethanol / 50 °C 2: thionyl chloride; N,N-dimethyl-formamide / 60 °C View Scheme

: 551-16-6
6-Aminopenicillanic Acid

: 4462-55-9
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

: 343-55-5
sodium dicloxacillin

Conditions

Conditions	Yield
Stage #1: 6-Aminopenicillanic Acid With sodium hydroxide In water at 0 - 5℃; for 0.333333h; Stage #2: 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride In acetone at 5℃; for 1h; pH=7; Stage #3: With sodium 2-ethylhexanoic acid In isopropyl alcohol at 30℃; for 0.5h; Temperature; Solvent;	80.21%
With ammonium hydroxide In ethyl acetate pH=2 - 8;

: 107-19-7
propargyl alcohol

: 4462-55-9
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

: 661452-05-7
prop-2-ynyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 2h;	79%

: 937681-62-4
3,4-dihydro-6-t-butyl-2H-1,4-benzoxazine

: 4462-55-9
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

: C23H22Cl2N2O3

Conditions

Conditions	Yield
With potassium carbonate In toluene at 40℃; for 0.416667h; Microwave irradiation;	70%

: 4462-55-9
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

: 71472-58-7
3,4-dihydro-7-methyl-2H-1,4-benzoxazine

: C20H16Cl2N2O3

Conditions

Conditions	Yield
With potassium carbonate In toluene at 40℃; for 0.416667h; Microwave irradiation;	60%

Raw Materials

83-38-5

Downstream Products

343-55-5

Total:85 Page 1 of 3 1 2 3 Next>>

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Chemistry

IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
Empirical Formula: C₁₁H₆C_l3NO₂
Molecular Weight: 290.5298g/mol
EINECS: 224-723-8
Structure of 4-Isoxazolecarbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl- (CAS NO.4462-55-9):

Index of Refraction: 1.584
Molar Refractivity: 66.09 cm³
Molar Volume: 197.3 cm³
Polarizability: 26.2×10^-24cm³
Surface Tension: 48.9 dyne/cm
Density: 1.472 g/cm³
Flash Point: 190.2 °C
Enthalpy of Vaporization: 64.04 kJ/mol
Melting Point: 92 °C
Boiling Point: 390.9 °C at 760 mmHg
Vapour Pressure: 2.57E-06 mmHg at 25°C
Product Categories: Oxazole&Isoxazole
Canonical SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl
InChI: InChI=1S/C11H6Cl3NO2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3
InChIKey: IZQGELJKDARDMZ-UHFFFAOYSA-N

Safety Profile

Hazard Codes: Corrosive C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45-36/37/39/45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 3261
Hazard Note: Corrosive

Specification

4-Isoxazolecarbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl- , its cas register number is 4462-55-9. It also can be called 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid chloride . 4-Isoxazolecarbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl- (CAS NO.4462-55-9) is a yellow to brown powde which may cause burns.