2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid
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- CAS-Nr.
- 763114-26-7
- Englisch Name:
- 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid
- Synonyma:
- EOS-61877;Olapali impurity 25;Olaparib Intermediate 1;Olaparib intermediate 763114-26-7;2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl);2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl);2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)be;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)Methyl]benzoic acid;2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylm ethyl)benzo;2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic a...
- CBNumber:
- CB92554162
- Summenformel:
- C16H11FN2O3
- Molgewicht:
- 298.27
- MOL-Datei:
- 763114-26-7.mol
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2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid Eigenschaften
- Dichte
- 1.42
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.19±0.10(Predicted)
- Aggregatzustand
- powder
- Farbe
- White to off-white
- InChI
- InChI=1S/C16H11FN2O3/c17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14/h1-7H,8H2,(H,19,20)(H,21,22)
- InChIKey
- PAXLJNGPFJEKQX-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(CC2C3=C(C=CC=C3)C(=O)NN=2)=CC=C1F
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 |
src="/GHS07.jpg" width="20" height="20" /> |
P264, P270, P301+P312, P330, P501 |
H315 |
Verursacht Hautreizungen. |
Hautreizung |
Kategorie 2 |
Warnung |
src="/GHS07.jpg" width="20" height="20" /> |
P264, P280, P302+P352, P321,P332+P313, P362 |
H319 |
Verursacht schwere Augenreizung. |
Schwere Augenreizung |
Kategorie 2 |
Warnung |
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 |
src="/GHS07.jpg" width="20" height="20" /> |
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Sicherheit |
P280 |
Schutzhandschuhe/Schutzkleidung/Augenschutz tragen. |
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2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid Chemische Eigenschaften,Einsatz,Produktion Methoden
Verwenden
2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic Acid is an intermediate used in the synthesis of phthalazinone scaffolds that are potent inhibitors of poly(ADP-ribose) polymerase, and also in the design of isocorydine derivatives with anticancer effect.
Application
2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic Acid is an intermediate in the synthesis of olaparib. Olaparib is a PARP polymerase inhibitor.
Synthese
![Synthesis_763114-26-7](/NewsImg/2021-12-27/6377621667655449426986813.jpg)
Compound 3 (2.6g, 0.011mol)And 2-fluoro-5-formylbenzoic acid (2.1g, 0.012mol)Dissolved in anhydrous tetrahydrofuran (25ml), cooled to 0 ,Slowly add triethylamine (1.0ml, 0.007mol) dropwise, then warm up to room temperature for 5h, then slowly raise the temperature to 70 , add hydrazine hydrate (5.1ml, 0.107mol) for 3h, and drop to room temperature , Add appropriate amount of hydrochloric acid (2mol / L) to adjust the pH to acidic, no longer precipitate solids. Filter with suction, wash the product with water and ethyl acetate, and dry to obtain a yellow solid (1.9g, yield 83%)
2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.
Global( 298)Lieferanten
763114-26-7()Verwandte Suche:
- (2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylMethyl)benzoic acid)763114-26-7
- 2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)Methyl]benzoic acid
- Benzoic acid, 5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluoro-
- 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)
- 5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluoro-Benzoic acid
- 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)
- 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid
- EOS-61877
- 2-Fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic Acid
- 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)be
- 2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylm ethyl)benzo
- Olaparib intermediate 763114-26-7
- 2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic a...
- C16H11FN2O3 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid 763114-26-7
- -Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
- Olaparib Intermediate 1
- 2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-yl)methyl] benzoic acid
- Olapali impurity 25
- 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoicaci
- 763114-26-7