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4-Isoxazolecarbonylchloride, 5-methyl-

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Name

4-Isoxazolecarbonylchloride, 5-methyl-

EINECS N/A
CAS No. 67305-24-2 Density 1.345g/cm3
PSA 43.10000 LogP 1.36200
Solubility N/A Melting Point N/A
Formula C5H4 Cl N O2 Boiling Point 78 °C
Molecular Weight 145.545 Flash Point 91.7°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 67305-24-2 (5-METHYL-4-ISOXAZOLECARBONYL CHLORIDE) Hazard Symbols C,Xi
Synonyms

5-Methyl-4-isoxazolecarbonylchloride; 5-Methyl-4-isoxazolecarboxylic acid chloride

Article Data 27

4-Isoxazolecarbonylchloride, 5-methyl- Synthetic route

42831-50-5

5-methyl-1,2-oxazole-4-carboxylic acid

67305-24-2

5-methylisoxazole-4-carbonyl chloride

Conditions
ConditionsYield
With thionyl chloride In toluene99%
With thionyl chloride at 70℃; for 1h;96%
With thionyl chloride at 50℃;96%
51135-73-0

5-methylisoxazole-4-carboxylic acid ethyl ester

67305-24-2

5-methylisoxazole-4-carbonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 270 g / conc. HCl / acetic acid; H2O / 10 h / Heating
2: 47 percent / thionyl chloride / 3 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: hydrogenchloride
2: thionyl chloride / Reflux
View Scheme
Multi-step reaction with 2 steps
1: sulfuric acid / water / 20 h / 20 °C / Reflux
2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 12 h / Reflux
View Scheme
Multi-step reaction with 2 steps
1: hydrogenchloride
2: thionyl chloride / N-methyl-acetamide
View Scheme
3788-94-1

2-ethoxymethylene-3-oxobutanoic acid ethyl ester

67305-24-2

5-methylisoxazole-4-carbonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 350 g / hydroxylamine hydrochloride, sodium acetate trihydrate / ethanol; H2O / 0 °C
2: 270 g / conc. HCl / acetic acid; H2O / 10 h / Heating
3: 47 percent / thionyl chloride / 3 h / Heating
View Scheme
Multi-step reaction with 3 steps
1: hydroxylamine hydrochloride
2: hydrogenchloride
3: thionyl chloride / Reflux
View Scheme
Multi-step reaction with 3 steps
1: hydroxylamine hydrochloride; sodium acetate / methanol; water / 0 - 20 °C
2: sulfuric acid / water / 20 h / 20 °C / Reflux
3: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 12 h / Reflux
View Scheme
455-14-1

4-trifluoromethylphenylamine

A

67305-24-2

5-methylisoxazole-4-carbonyl chloride

B

75706-12-6

Leflunomide

Conditions
ConditionsYield
With sodium hydrogencarbonate In water
42831-50-5

5-methyl-1,2-oxazole-4-carboxylic acid

of toluene

of toluene

67305-24-2

5-methylisoxazole-4-carbonyl chloride

Conditions
ConditionsYield
With thionyl chloride
67305-24-2

5-methylisoxazole-4-carbonyl chloride

28236-62-6

2,4-dichlorophenoxyacetylhydrazine

1417515-26-4

N'-(2-(2,4-dichlorophenoxy)acetyl)-5-methylisoxazole-4-carbohydrazide

Conditions
ConditionsYield
In tetrahydrofuran for 0.166667h; Time; Reagent/catalyst; Temperature; Microwave irradiation;99%
67305-24-2

5-methylisoxazole-4-carbonyl chloride

636992-54-6

3-amino-5-bromo-benzofuran-2-carbonitrile

803684-89-1

N-(5-bromo-2-cyanobenzofuran-3-yl)-5-methylisoxazole-4-carboxamide

Conditions
ConditionsYield
In tetrahydrofuran at 65℃; for 2h;96.6%
67305-24-2

5-methylisoxazole-4-carbonyl chloride

455-14-1

4-trifluoromethylphenylamine

75706-12-6

Leflunomide

Conditions
ConditionsYield
In diethyl ether for 0.5h; Ambient temperature;93%
With sodium hydrogencarbonate In N,N-dimethyl acetamide; toluene86%
With sodium hydrogencarbonate In water; toluene at 20 - 60℃; for 18h;43%
67305-24-2

5-methylisoxazole-4-carbonyl chloride

62208-67-7

3-amino[1]benzofuran-2-carbonitrile

803684-90-4

N-(2-cyanobenzofuran-3-yl)-5-methylisoxazole-4-carboxamide

Conditions
ConditionsYield
In tetrahydrofuran at 65℃; for 2h;90.9%

ammonium thiocyanate

67305-24-2

5-methylisoxazole-4-carbonyl chloride

2002-03-1

2-amino-5-phenyl-1,3,4-thiadiazole

1023696-89-0

N-(5-phenyl-1,3,4-thiadiazole-2-yl)-N'-(5-methylisoxazoyl)thiourea

Conditions
ConditionsYield
Stage #1: ammonium thiocyanate; 5-methylisoxazole-4-carbonyl chloride; polyethylene glycol-600 In dichloromethane at 20℃; for 0.333333h; Irradiation;
Stage #2: 2-amino-5-phenyl-1,3,4-thiadiazole In dichloromethane for 0.5h; Irradiation; Further stages.;
90.1%

4-Isoxazolecarbonylchloride, 5-methyl- Chemical Properties

IUPAC Name: 5-methyl-1,2-oxazole-4-carbonyl chloride 
Empirical Formula: C5H4ClNO2
Molecular Weight: 145.5438g/mol
Structure of 4-Isoxazolecarbonylchloride, 5-methyl- (CAS NO.67305-24-2):

Index of Refraction: 1.498
Molar Refractivity: 31.71 cm3
Molar Volume: 108.1 cm3
Polarizability: 12.57×10-24cm3
Surface Tension: 42.9 dyne/cm
Density: 1.345 g/cm3
Flash Point: 91.7 °C
Enthalpy of Vaporization: 46.46 kJ/mol
Boiling Point: 228 °C at 760 mmHg
Vapour Pressure: 0.0751 mmHg at 25°C 
Product Categories: ACIDHALIDE 
Canonical SMILES: CC1=C(C=NO1)C(=O)Cl
InChI: InChI=1S/C5H4ClNO2/c1-3-4(5(6)8)2-7-9-3/h2H,1H3
InChIKey: ZKAQPVQEYCFRTK-UHFFFAOYSA-N

4-Isoxazolecarbonylchloride, 5-methyl- Safety Profile

Hazard Codes: CorrosiveC,IrritantXi
Hazard Note: Corrosive
HazardClass: IRRITANT

4-Isoxazolecarbonylchloride, 5-methyl- Specification

  4-Isoxazolecarbonylchloride, 5-methyl- , its cas register number is 67305-24-2. It also can be called 5-Methyl-1,2-oxazole-4-carbonyl chloride ; 5-Methyl-4-isoxazolecarbonyl chloride ; 5-Methyl-isoxazole-4-carbonyl chloride ; 5-Methylisoxazole-4-carbonyl chloride 97% .

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