CAS No.110035-28-4,Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime Suppliers

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Basic Information

Molecular Structure:
CAS No.:	110035-28-4
Name:	Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime
Article Data:	4

Formula:	C₁₂H₁₃N₃O₂
Molecular Weight:	231.254
Synonyms:	1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehydeoxime;1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carboxaldehyde oxime;
EINECS:	1312995-182-4
Density:	1.21 g/cm³
Melting Point:	133-134 °C
Boiling Point:	359.4 °C at 760 mmHg
Flash Point:	171.2 °C
PSA:	57.42000
LogP:	0.91650

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

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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 C₁₂H₁₃N₃O₂and 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