5-Acetyl-1H-Pyrazole-3-carboxylic acid
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- CAS-Nr.
- 1297537-45-1
- Englisch Name:
- 5-Acetyl-1H-Pyrazole-3-carboxylic acid
- Synonyma:
- ODM-201 int1;ODM-201 intermediate 1;5-Acetylpyrazole-3-carboxylic Acid;5-Acetyl-1H-pyrazole-3-carboxylic acic;5-ACETYL-1H-PYRAZOLE-3-CARBOXYLIC ACID;1H-Pyrazole-3-carboxylic acid, 5-acetyl-;5-ACETYL-1H-PYRAZOLE-3-CARBOXYLIC ACID(For export only);3-Acetyl-1H-pyrazole-5-carboxylic acidQ: What is
3-Acetyl-1H-pyrazole-5-carboxylic acid Q: What is the CAS Number of
3-Acetyl-1H-pyrazole-5-carboxylic acid
- CBNumber:
- CB5804520
- Summenformel:
- C6H6N2O3
- Molgewicht:
- 154.12
- MOL-Datei:
- Mol file
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5-Acetyl-1H-Pyrazole-3-carboxylic acid Eigenschaften
- Schmelzpunkt:
- 257-269 °C (decomp)(Solv: ethanol (64-17-5); benzene (71-43-2))
- Siedepunkt:
- 479.2±30.0 °C(Predicted)
- Dichte
- 1.467±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 3.60±0.10(Predicted)
- InChI
- InChI=1S/C6H6N2O3/c1-3(9)4-2-5(6(10)11)8-7-4/h2H,1H3,(H,7,8)(H,10,11)
- InChIKey
- HFBWRCZRDIVAMQ-UHFFFAOYSA-N
- SMILES
- N1C(C(C)=O)=CC(C(O)=O)=N1
Sicherheit
- Risiko- und Sicherheitserklärung
- Gefahreninformationscode (GHS)
| Bildanzeige (GHS) |
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| Alarmwort |
Warnung |
| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H302 |
Gesundheitsschädlich bei Verschlucken. |
Akute Toxizität oral |
Kategorie 4 |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
P264, P270, P301+P312, P330, P501 |
| H315 |
Verursacht Hautreizungen. |
Hautreizung |
Kategorie 2 |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
P264, P280, P302+P352, P321,P332+P313, P362 |
| H319 |
Verursacht schwere Augenreizung. |
Schwere Augenreizung |
Kategorie 2 |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
P264, P280, P305+P351+P338,P337+P313P |
| H335 |
Kann die Atemwege reizen. |
Spezifische Zielorgan-Toxizität (einmalige Exposition) |
Kategorie 3 (Atemwegsreizung) |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
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| Sicherheit |
| P261 |
Einatmen von Staub vermeiden. |
| P280 |
Schutzhandschuhe/Schutzkleidung/Augenschutz tragen. |
| P301+P312 |
BEI VERSCHLUCKEN: Bei Unwohlsein GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen. |
| P302+P352 |
BEI BERÜHRUNG MIT DER HAUT: Mit viel Wasser/... (Hersteller kann, falls zweckmäßig, ein Reinigungsmittel angeben oder, wenn Wasser eindeutig ungeeignet ist, ein alternatives Mittel empfehlen) waschen. |
| P305+P351+P338 |
BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach Möglichkeit entfernen. Weiter spülen. |
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5-Acetyl-1H-Pyrazole-3-carboxylic acid Chemische Eigenschaften,Einsatz,Produktion Methoden
Definition
5-Acetyl-1H-pyrazole-3-carboxylic acid can be considered a valuable building block for other types of organic and medicinal chemistry transformations and is the essential starting material for the preparation of Darolutamide, which is chemically known as N-{(2S)-1-[3-(3-chloro-4- cyanophenyl)-1H-pyrazol-1-yl]propan-2-yl}-5-(1-hydroxyethyl)-1H-pyrazole-3- 10 carboxamide. Orion Corporation and Bayer Health Care developed Darolutamide. It is an anti-androgen medication that is used for the treatment of prostate cancer in men. Recently, a safe and metal-free process using ethyl glycinate hydrochloride as the starting material has been developed to prepare 5-Acetyl-1H-Pyrazole-3-carboxylic acid[1-2].
Synthese
5-Acetyl-1H-pyrazole-3-carboxylic acid is a chemical compound that is synthesized from hydrazine and acetyl chloride.
Potassium tert-butoxide (102 g) was added lot-wise to the pre-cooled mixture of 3,3-dimethoxybutane-2-one (100 g) in toluene (1000 ml) at 5-10°C and stirred for 45 minutes. Diethyl oxalate (132 g) was added to the mixture at 10-15°C and stirred for 4 hours. Filtered the solid. To the filtered solid water (3000 ml) was added and cooled to 5-10°C. Solution of Hydrazine monohydrochloride (51.8 g) was slowly added to the mixture at 5-10°C and stirred for 4 hrs. Dichloromethane (1000 ml) was added to the mixture at 5-10°C and stirred for 15 minutes. Allowed to heat the mixture to 25-30°C and stirred for 15 minutes. Filtered the mixture through hyflow. Organic layer was separated from the filtrate. Distilled-off the organic layer and co-distilled in n-heptane (50 ml). n-heptane (300 ml) was added to the mixture at 25-30°C. Heated the mixture at 45-50°C and stirred for 1 hrs. Allowed to cool the mixture to 25-30°C and stirred for 3 hours. Filtered the solid. THF (150 ml) was added to the obtained solid. aq. Sodium hydroxide solution was added to the mixture at 10-15°C. Heated the mixture to 55-60°C and stirred for 2 hrs. Allowed to cool the mixture to 25-30°C and stirred for 15 minutes. Separated the aqueous layer from organic layer. Water was added to the aqueous layer at 25-30°C. Cooled the mixture to 20-25°C. Treated the mixture with hydrochloric acid at 20-25°C. Allowed to heat the mixture to 25-30°C and stirred for 4 hours. Filtered the solid and dried. Tetrahydrofuran (300 ml) was added to the obtained solid at 25-30°C. Heated the mixture to 50-55°C and stirred for 60 minutes. Allowed to cool the mixture to 25-30°C and stirred for 3 hours. Filtered the solid and dried to get 5-Acetyl-1H-pyrazole-3-carboxylic acid, Yield: 63 gm Purity by HPLC: 99.93%.
5-Acetyl-1H-Pyrazole-3-carboxylic acid Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
5-Acetyl-1H-Pyrazole-3-carboxylic acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.
Global( 86)Lieferanten
- 5-ACETYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
- ODM-201 int1
- ODM-201 intermediate 1
- 1H-Pyrazole-3-carboxylic acid, 5-acetyl-
- 5-ACETYL-1H-PYRAZOLE-3-CARBOXYLIC ACID(For export only)
- 5-Acetylpyrazole-3-carboxylic Acid
- 3-Acetyl-1H-pyrazole-5-carboxylic acidQ: What is
3-Acetyl-1H-pyrazole-5-carboxylic acid Q: What is the CAS Number of
3-Acetyl-1H-pyrazole-5-carboxylic acid
- 5-Acetyl-1H-pyrazole-3-carboxylic acic
- 1297537-45-1
