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Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime
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Name

Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime

 EINECS 1312995-182-4
CAS No. 110035-28-4 Density 1.21 g/cm3
PSA 57.42000 LogP 0.91650
Solubility N/A Melting Point 133-134 °C
Formula C12H13N3O2 Boiling Point 359.4 °C at 760 mmHg
Molecular Weight 231.254 Flash Point 171.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 110035-28-4 (Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime) Hazard Symbols N/A
Synonyms

1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehydeoxime;1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carboxaldehyde oxime;

Article Data 4

Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime Synthetic route

27006-76-4

5-chloro-4-formyl-1,3-dimethylpyrazole

110035-28-4

1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium hydroxide / N,N-dimethyl-formamide / 40 - 110 °C
2: potassium hydroxide; hydroxylamine hydrochloride / methanol
View Scheme
Multi-step reaction with 2 steps
1.1: sodium hydroxide / ethanol / Reflux
1.2: 105 °C
2.1: hydroxylamine hydrochloride; potassium hydroxide / Reflux
View Scheme
Multi-step reaction with 2 steps
1.1: potassium hydroxide / 2 h / 45 °C
1.2: 110 °C
2.1: potassium hydroxide; hydroxylamine hydrochloride / Reflux
View Scheme
Multi-step reaction with 2 steps
1.1: potassium hydroxide / N,N-dimethyl-formamide / 6 h / 40 °C
1.2: 100 °C
2.1: hydroxylamine hydrochloride; sodium hydroxide / ethanol; water / 0.5 h / 20 - 30 °C
View Scheme
108-95-2

phenol

110035-28-4

1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium hydroxide / N,N-dimethyl-formamide / 40 - 110 °C
2: potassium hydroxide; hydroxylamine hydrochloride / methanol
View Scheme
Multi-step reaction with 2 steps
1.1: sodium hydroxide / ethanol / Reflux
1.2: 105 °C
2.1: hydroxylamine hydrochloride; potassium hydroxide / Reflux
View Scheme
Multi-step reaction with 2 steps
1.1: potassium hydroxide / 2 h / 45 °C
1.2: 110 °C
2.1: potassium hydroxide; hydroxylamine hydrochloride / Reflux
View Scheme
109925-10-2

1,3-dimethyl-5-phenoxypyrazole-4-carbaldehyde

110035-28-4

1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

Conditions
ConditionsYield
With hydroxylamine hydrochloride; potassium hydroxide In methanol
With hydroxylamine hydrochloride; potassium hydroxide Reflux;
With hydroxylamine hydrochloride; potassium hydroxide Reflux;
With hydroxylamine hydrochloride; sodium hydroxide In ethanol; water at 20 - 30℃; for 0.5h;
2749-59-9

1,3-dimethyl-5-pyrazolone

110035-28-4

1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: trichlorophosphate / 10.5 h / 0 °C / Heating
2.1: potassium hydroxide / N,N-dimethyl-formamide / 6 h / 40 °C
2.2: 100 °C
3.1: hydroxylamine hydrochloride; sodium hydroxide / ethanol; water / 0.5 h / 20 - 30 °C
View Scheme
110035-28-4

1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

1746-13-0

allyl phenyl ether

3-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)-5-(phenoxymethyl)-4,5-dihydroisoxazole

Conditions
ConditionsYield
With N-chloro-4-methylbenzenesulfonamide In N,N-dimethyl-formamide Solvent; Reflux;85%
110035-28-4

1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

20009-25-0

allyl naphthyl ether

3-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)-5-[(naphthalen-1-yloxy)methyl]-4,5-dihydroisoxazole

Conditions
ConditionsYield
With N-chloro-4-methylbenzenesulfonamide In N,N-dimethyl-formamide Reflux;79%
110035-28-4

1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

936-72-1

allyl o-tolyl ether

3-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)-5-[(o-tolyloxy)methyl]-4,5-dihydroisoxazole

Conditions
ConditionsYield
With N-chloro-4-methylbenzenesulfonamide In N,N-dimethyl-formamide Reflux;78%
110035-28-4

1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

C10H11NO3

3-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)-5-[(2-methyl-4-nitrophenoxy)methyl]-4,5-dihydroisoxazole

Conditions
ConditionsYield
With N-chloro-4-methylbenzenesulfonamide In N,N-dimethyl-formamide Reflux;76%
4153-74-6

2-(chloromethyl)-5-ethoxy-1,3,4-thiadiazole

110035-28-4

1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

C17H19N5O3S

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 18h; Reflux;75.2%
With potassium carbonate In acetonitrile Reflux;
110035-28-4

1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime

C13H16O

3-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)-5-(((1,4,4a,8a-tetrahydronaphthalen-1-yl)oxy)methyl)-4,5-dihydroisoxazole

Conditions
ConditionsYield
With N-chloro-4-methylbenzenesulfonamide In N,N-dimethyl-formamide Reflux;75%

Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime Specification

The CAS register number of Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime is 110035-28-4. It also can be called as 1H-Pyrazole-4-carboxaldehyde,1,3-dimethyl-5-phenoxy-, oxime and the systematic name about this chemical is 1-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)-N-hydroxymethanimine. The molecular formula about this chemical is C12H13N3O2 and molecular weight is 231.25. 

Physical properties about Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime are: (1)ACD/LogP: 2.12; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 48.64Å2; (6)Index of Refraction: 1.592; (7)Molar Refractivity: 64.68 cm3; (8)Molar Volume: 191 cm3; (9)Polarizability: 25.64x10-24cm3; (10)Surface Tension: 43.8 dyne/cm; (11)Enthalpy of Vaporization: 63.84 kJ/mol; (12)Boiling Point: 359.4 °C at 760 mmHg; (13)Vapour Pressure: 8.59E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)c2c(c(nn2C)C)C=NO
(2)InChI: InChI=1/C12H13N3O2/c1-9-11(8-13-16)12(15(2)14-9)17-10-6-4-3-5-7-10/h3-8,16H,1-2H3
(3)InChIKey: AKGVMZJNWXUJBJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H13N3O2/c1-9-11(8-13-16)12(15(2)14-9)17-10-6-4-3-5-7-10/h3-8,16H,1-2H3
(5)Std. InChIKey: AKGVMZJNWXUJBJ-UHFFFAOYSA-N

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