2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
- CAS No.
- 763114-25-6
- Chemical Name:
- 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
- Synonyms
- (Z)-2-fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)Methyl)benzonitrile;2-Fluoro-5-(3-oxo-3H-isobenzofuran-1-ylidenemethyl)-benzonitrile;2-fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)Methyl)benzonitrile;2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile;Olaparib Impurity 76;2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)meth;2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]benzoni...;2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile;Benzonitrile, 2-fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-;(E)-2-fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
- CBNumber:
- CB52506451
- Molecular Formula:
- C16H8FNO2
- Molecular Weight:
- 265.24
- MOL File:
- 763114-25-6.mol
- Modify Date:
- 2024/1/16 18:38:52
Boiling point | 430.1±45.0 °C(Predicted) |
---|---|
Density | 1.38 |
storage temp. | Sealed in dry,Room Temperature |
solubility | Dichloromethane, Tetrahydrofuran |
form | Solid |
color | White |
InChI | InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H |
InChIKey | MMPHWTMMVPBHRZ-UHFFFAOYSA-N |
SMILES | C(#N)C1=CC(C=C2C3=C(C=CC=C3)C(=O)O2)=CC=C1F |
SAFETY
Risk and Safety Statements
Symbol(GHS) | GHS07 |
---|---|
Signal word | Warning |
Hazard statements | H302-H315-H319-H332-H335 |
Precautionary statements | P261-P280-P305+P351+P338 |
HS Code | 2932990090 |
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile Chemical Properties,Uses,Production
Chemical Properties
White Solid
Uses
2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile is intermediate in the preparation of poly (ADP-ribose) polymerase (PARP) inhibitors. Olaparib intermediate.
Synthesis
(3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonic acid (5.00 g, 0.021 mol) in tetrahydrofuran (30 mL) was added to a 150 mL round-bottom flask. To this solution, triethylamine(5.6 mL, 0.042 mol) was added. 2-Fluoro-5-formyl benzonitrile( 3.08 g, 0.021 mol) was dissolved in tetrahydrofuran into another round-bottom flask, followed by adding triethylamine (2.9 mL, 0.021 mol) and stirring evenly. Then the reaction fluids in the two flasks were mixed and reacted at room temperature for 12 h. The product was concentrated under reduced pressure and 50 mL of water was added. The suspension was stirred for 30 min until the solids were not precipitated. Finally, filtration was performed, and the filter cake was collected and dried to obtain 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile(5.41 g, 97%).
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile Preparation Products And Raw materials
Supplier | Tel | Country | ProdList | Advantage | Inquiry |
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asaivishwa | +91-912241276501 +91-2241276501 | Maharashtra, India | 21 | 58 | Inquiry |
Aruvi Labs | +91-8056181939 +91-8056181939 | Tamil Nadu, India | 149 | 58 | Inquiry |
aSai Vishwa Speciality Chemicals Pvt Ltd | +91-2241276501 +91-9920410867 | Maharashtra, India | 58 | 58 | Inquiry |
A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
PharmOrgSyn Laboratories Co., Ltd. | +86-021-38228826 +86-13916602830 | China | 140 | 58 | Inquiry |
Shanghai Boc Chemical Co., Ltd. | 021-34975602; +8618721111801 | China | 138 | 58 | Inquiry |
Golden Pharma Co., Limited | +undefined18958062155 | China | 5905 | 58 | Inquiry |
Jiangxi Chiyan Biopharmaceutical Technology Co.,Ltd. | +86-18616643091 +86-18616643091 | China | 246 | 58 | Inquiry |
Zhejiang Brunova Technology Co., Ltd. | 8617857108485 17857108485 | China | 42 | 58 | Inquiry |
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