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519-98-2

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519-98-2 Usage

Chemical Properties

Pale Orange Low Melting Waxy Solid

Uses

A metabolite of Dipyrone

Definition

ChEBI: A member of the class of pyrazoles that is antipyrine substituted at C-4 by a methylamino group. It is a metabolite of aminopyrine and of metamizole.

Check Digit Verification of cas no

The CAS Registry Mumber 519-98-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,1 and 9 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 519-98:
(5*5)+(4*1)+(3*9)+(2*9)+(1*8)=82
82 % 10 = 2
So 519-98-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3

519-98-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one

1.2 Other means of identification

Product number -
Other names 4-(N-methyl)-aminoantipyrine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:519-98-2 SDS

519-98-2Synthetic route

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl-)-N-methyl-carbamidsaeuremethylester
10116-07-1

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl-)-N-methyl-carbamidsaeuremethylester

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
With potassium hydroxide at 50℃;94%
4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one
83-07-8

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
With 1-butyl-3-methylimidazolium Tetrafluoroborate at 160℃; for 5h; Temperature; Concentration;89%
metamizol
68-89-3

metamizol

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
With hydrogenchloride In methanol; water at 60℃; for 3h;86.7%
In water for 4h; Irradiation; Yield given;
4-N-acetyl-N-methylaminoantipyrine
15421-74-6

4-N-acetyl-N-methylaminoantipyrine

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
With hydrogenchloride; water Reflux;85%
(E)-4-(benzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
83-17-0

(E)-4-(benzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
In dimethyl sulfoxide for 6h; Heating;60%
Metamizol
50567-35-6

Metamizol

A

metamorphine
948017-85-4

metamorphine

B

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
With water; sodium chloride at 37℃; for 1008h; Kinetics;A 50%
B n/a
formaldehyd
50-00-0

formaldehyd

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one
83-07-8

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
Hydrogenation.katalytischen;
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-phthalamic acid

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-phthalamic acid

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
With sulfuric acid; water
aminopyrine
58-15-1

aminopyrine

A

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one
83-07-8

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

B

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

C

Rubazonsaeure
1248-55-1

Rubazonsaeure

D

4-hydroxyantipyrine
1672-63-5

4-hydroxyantipyrine

Conditions
ConditionsYield
With oxygen at 15 - 20℃; Mechanism;
metamizol
68-89-3

metamizol

A

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one
83-07-8

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

B

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
In water Kinetics; Irradiation; photochemical decomposition, λ=254 nm;
metamizol
68-89-3

metamizol

A

formaldehyd
50-00-0

formaldehyd

B

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
With sodium hydroxide at 100℃; for 0.5h;
4--antipyrine

4--antipyrine

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
durch Verseifung;
4-bromo-antipyrine

4-bromo-antipyrine

methylamine solution

methylamine solution

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

hydrogenchloride
7647-01-0

hydrogenchloride

water
7732-18-5

water

metamizol
68-89-3

metamizol

A

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

B

aminopyrine
58-15-1

aminopyrine

hydrogenchloride
7647-01-0

hydrogenchloride

water
7732-18-5

water

metamizol
68-89-3

metamizol

A

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

B

1,5,1',5'-tetramethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-(N,N'-dimethyl-N,N'-methanediyl-diamino)-bis-pyrazol-3-one
810-16-2

1,5,1',5'-tetramethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-(N,N'-dimethyl-N,N'-methanediyl-diamino)-bis-pyrazol-3-one

metamizol
68-89-3

metamizol

A

formaldehyd
50-00-0

formaldehyd

B

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

C

NaHSO3

NaHSO3

Conditions
ConditionsYield
With sodium hydroxide at 100℃; for 0.5h; Mechanism; dependence from temperature;
4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one
83-07-8

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

2-phenyl-cinchoninic acid-chloride

2-phenyl-cinchoninic acid-chloride

A

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

B

N,N-dimethyl-DL-alanine

N,N-dimethyl-DL-alanine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2O; ethanol
2: 60 percent / dimethylsulfoxide / 6 h / Heating
View Scheme
aminopyrine
58-15-1

aminopyrine

A

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one
83-07-8

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

B

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

C

4-(N,N-dimethyl)-4'-hydroxyaminoantipyrine
178937-52-5

4-(N,N-dimethyl)-4'-hydroxyaminoantipyrine

D

4-(N,N-dimethyl)-3'-hydroxyaminoantipyrine
1229026-20-3

4-(N,N-dimethyl)-3'-hydroxyaminoantipyrine

E

4-(N,N-dimethyl)-2'-hydroxyaminoantipyrine
1229026-19-0

4-(N,N-dimethyl)-2'-hydroxyaminoantipyrine

Conditions
ConditionsYield
With ferrous ethylenediamine tetraacetate; dihydrogen peroxide; ascorbic acid pH=7; Fenton reaction; aq. phosphate buffer;
4-acetylaminoantipyrine
83-15-8

4-acetylaminoantipyrine

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydride / tetrahydrofuran; mineral oil / 0 - 20 °C / Inert atmosphere
2: hydrogenchloride; water / Reflux
View Scheme
4-aminoantipyrine hydrochloride
22198-72-7

4-aminoantipyrine hydrochloride

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: N-ethyl-N,N-diisopropylamine; nickel dichloride / CH3Cl
2: sodium hydride / tetrahydrofuran; mineral oil / 0 - 20 °C / Inert atmosphere
3: hydrogenchloride; water / Reflux
View Scheme
metamizole

metamizole

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Conditions
ConditionsYield
In water at 80℃; for 2h;
formaldehyd
50-00-0

formaldehyd

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Metamizol
50567-35-6

Metamizol

Conditions
ConditionsYield
With sulfur dioxide; water In ethanol at 60 - 80℃; under 2068.65 - 3102.97 Torr; Solvent; Pressure;98.5%
formaldehyd
50-00-0

formaldehyd

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

analgin magnesium

analgin magnesium

Conditions
ConditionsYield
With sulfur dioxide; water; magnesium oxide In isopropyl alcohol at 20 - 80℃; under 1034.32 - 2068.65 Torr; for 3h; Solvent; Reagent/catalyst; Temperature; Pressure;95.5%
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Methylaminooxoessigsaeure-2-acetyl-2-methyl-1-phenylhydrazid
92569-10-3

Methylaminooxoessigsaeure-2-acetyl-2-methyl-1-phenylhydrazid

Conditions
ConditionsYield
With oxygen; methylene blue at 20℃; for 4h; Irradiation;94%
With sodium periodate In methanol; water for 24h; Ambient temperature;64%
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Eudesmic acid
118-41-2

Eudesmic acid

2,3-Dimethyl-4-(N-methyl-N-3',4',5'-trimethoxybenzoylamino)-1-phenylpyrazol-5-one
67818-78-4

2,3-Dimethyl-4-(N-methyl-N-3',4',5'-trimethoxybenzoylamino)-1-phenylpyrazol-5-one

Conditions
ConditionsYield
With phosphorus pentachloride at 175 - 180℃; for 0.666667h;83.41%
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

3,4,5-Trimethoxybenzoyl chloride
4521-61-3

3,4,5-Trimethoxybenzoyl chloride

2,3-Dimethyl-4-(N-methyl-N-3',4',5'-trimethoxybenzoylamino)-1-phenylpyrazol-5-one
67818-78-4

2,3-Dimethyl-4-(N-methyl-N-3',4',5'-trimethoxybenzoylamino)-1-phenylpyrazol-5-one

Conditions
ConditionsYield
In diethyl ether; benzene for 5h; Heating;82.38%
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

C12H15N3O4S

C12H15N3O4S

Conditions
ConditionsYield
With chlorosulfonic acid In dichloromethane at 10℃; for 15h; Solvent; Temperature;75.2%
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

methyl chloroformate
79-22-1

methyl chloroformate

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl-)-N-methyl-carbamidsaeuremethylester
10116-07-1

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl-)-N-methyl-carbamidsaeuremethylester

Conditions
ConditionsYield
With sodium carbonate71.2%
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

4-(N-methyl-N-nitroso)aminoantipyrine
73829-38-6

4-(N-methyl-N-nitroso)aminoantipyrine

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite In water at 0℃; for 1h;70%
all cis 5,8,11,14-eicosatetraenoic acid
506-32-1

all cis 5,8,11,14-eicosatetraenoic acid

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

Arachidonoyl-4-methylaminoantipyrin
1115860-30-4

Arachidonoyl-4-methylaminoantipyrin

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 3h;64%
(4-iodophenyl)acetic acid
1798-06-7

(4-iodophenyl)acetic acid

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-iodo-phenyl)-N-methyl-acetamide
81217-13-2

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-iodo-phenyl)-N-methyl-acetamide

Conditions
ConditionsYield
With phosphorus trichloride In benzene Heating;60%
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

α-bromopropionyl bromide
563-76-8

α-bromopropionyl bromide

2-bromo-propionic acid-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-amide]
100974-58-1

2-bromo-propionic acid-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-amide]

Conditions
ConditionsYield
With chloroform; potassium carbonate
phosgene
75-44-5

phosgene

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-carbamoyl chloride
108879-93-2

(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-carbamoyl chloride

Conditions
ConditionsYield
With benzene
formaldehyd
50-00-0

formaldehyd

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

potassium cyanide
151-50-8

potassium cyanide

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-glycine nitrile
92296-21-4

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-glycine nitrile

Conditions
ConditionsYield
With water; acetic acid
formaldehyd
50-00-0

formaldehyd

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

aminopyrine
58-15-1

aminopyrine

Conditions
ConditionsYield
With hydrogenchloride; water; sodium sulfite
With hydrogenchloride
formaldehyd
50-00-0

formaldehyd

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

1,5,1',5'-tetramethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-(N,N'-dimethyl-N,N'-methanediyl-diamino)-bis-pyrazol-3-one
810-16-2

1,5,1',5'-tetramethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-(N,N'-dimethyl-N,N'-methanediyl-diamino)-bis-pyrazol-3-one

2-bromopropionic anhydride
67404-58-4

2-bromopropionic anhydride

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

2-bromo-propionic acid-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-amide]
100974-58-1

2-bromo-propionic acid-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-amide]

Conditions
ConditionsYield
With benzene
diethylamino-propionic acid
98204-12-7

diethylamino-propionic acid

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

N,N-diethyl-DL-alanine-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-amide
58965-95-0

N,N-diethyl-DL-alanine-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-amide

Conditions
ConditionsYield
With phosphorus pentoxide at 160 - 170℃;
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

chloroformic acid ethyl ester
541-41-3

chloroformic acid ethyl ester

(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-carbamic acid ethyl ester
10077-99-3

(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-carbamic acid ethyl ester

Conditions
ConditionsYield
With sodium carbonate
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

benzyl bromide
100-39-0

benzyl bromide

4-methylbenzylamino-antipyrine

4-methylbenzylamino-antipyrine

Conditions
ConditionsYield
With benzene
With benzene
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

phenyl isocyanate
103-71-9

phenyl isocyanate

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-N'-phenyl-urea
102082-15-5

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-N'-phenyl-urea

Conditions
ConditionsYield
With chloroform
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

ethyl iodide
75-03-6

ethyl iodide

4-methylethylamino-antipyrine

4-methylethylamino-antipyrine

4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

allyl bromide
106-95-6

allyl bromide

4-(allyl-methyl-amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

4-(allyl-methyl-amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

Conditions
ConditionsYield
With benzene at 100℃;
4-methylaminoantipyrine
519-98-2

4-methylaminoantipyrine

2-Bromopropionic acid
598-72-1

2-Bromopropionic acid

2-bromo-propionic acid-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-amide]
100974-58-1

2-bromo-propionic acid-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-methyl-amide]

Conditions
ConditionsYield
With phosphorus pentoxide

519-98-2Relevant articles and documents

-

Greshnykh et al.

, (1979)

-

-

Wagner

, p. 121,124 (1956)

-

Preparation method of 4-methylaminoantipyrine

-

Paragraph 0015, (2016/11/28)

The invention discloses a preparation method of 4-methylaminoantipyrine. The preparation method consists of: taking aminoantipyrene shown as formula (I) as the raw material, in a 1-methyl-3-butylimidazolium tetrafluoroborate ionic liquid reaction medium, and under the action of solid alkali, carrying out dimethyl carbonate methylation one-step reaction to obtain 4-methylaminoantipyrine shown as formula (II). The reaction equation is shown as the specification, and the solid alkali is macroporous weakly basic styrene type anion exchange resin. The technology has the characteristics of easy operation and high product purity, is a new synthetic technical route, and has the advantages of safety and easily available raw materials, thus being conducive to industrial production.

NMR-derived models of amidopyrine and its metabolites in complexes with rabbit cytochrome P450 2B4 reveal a structural mechanism of sequential N-dealkylation

Roberts, Arthur G.,Sjoegren, Sara E. A.,Fomina, Nadezda,Vu, Kathy T.,Almutairi, Adah,Halpert, James R.

experimental part, p. 2123 - 2134 (2012/03/10)

To understand the molecular basis of sequential N-dealkylation by cytochrome P450 2B enzymes, we studied the binding of amidopyrine (AP) as well as the metabolites of this reaction, desmethylamidopyrine (DMAP) and aminoantipyrine (AAP), using the X-ray crystal structure of rabbit P450 2B4 and two nuclear magnetic resonance (NMR) techniques: saturation transfer difference (STD) spectroscopy and longitudinal (T1) relaxation NMR. Results of STD NMR of AP and its metabolites bound to P450 2B4 were similar, suggesting that they occupy similar niches within the enzyme's active site. The model-dependent relaxation rates (RM) determined from T1 relaxation NMR of AP and DMAP suggest that the N-linked methyl is closest to the heme. To determine the orientation(s) of AP and its metabolites within the P450 2B4 active site, we used distances calculated from the relaxation rates to constrain the metabolites to the X-ray crystal structure of P450 2B4. Simulated annealing of the complex revealed that the metabolites do indeed occupy similar hydrophobic pockets within the active site, while the N-linked methyls are free to rotate between two binding modes. From these bound structures, a model of N-demethylation in which the N-linked methyl functional groups rotate between catalytic and noncatalytic positions was developed. This study is the first to provide a structural model of a drug and its metabolites complexed to a cytochrome P450 based on NMR and to provide a structural mechanism for how a drug can undergo sequential oxidations without unbinding. The rotation of the amide functional group might represent a common structural mechanism for N-dealkylation reactions for other drugs such as the local anesthetic lidocaine.

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