2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile

2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile

Khoom Taw qhia

2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile Cov ntaub ntawv tseem ceeb
Khoom npe: 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
Synonyms: 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile;(Z)-2-fluoro-5-( (3-oxoisobenzofuran-1(3H)-ylidene)Methyl)benzonitrile;2-fluoro-5-((3-oxoisobenzofuran-1(3H)- ylidene)Methyl)benzonitrile;2-Fluoro-5-(3-oxo-3H-isobenzofuran-1-}ylidenemethyl)-benzonitrile;2-fluoro{{ 27}}(3-oxo-1,3-dihydroisobenzofuranylidene methyl)benzonitrile;(E)-2-fluoro-5-((3-oxoisobenzofuran{{ 34}}(3H)-ylidene)methyl)benzonitrile;2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl ]benzonitrile;Benzonitrile, 2-fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-
CAS: 763114-25-6
MF: C16H8FNO2
MW: 265.24
EINECS:  
Khoom Categories: kev tiv thaiv; 1
Mol File: 763114-25-6.mol
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile Structure
 
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile Cov Khoom Siv Tshuaj
Boiling point 43 0.1 ± 45.0 degree (Predicted)
ceev 1.38
cia temp. Muab kaw rau hauv qhuav, Chav Kub
solubility Dichloromethane, Tetrahydrofuran
daim ntawv Khoom
xim Dawb
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/h 1-8H
InChIKey MMPHWTMMVPBHRZ-UHFFFAOYSA-N
SMILES C(#N)C1=CC(C=C2C3=C=CC=C3)C(=O) O2)=CC=C1F
 
Cov ntaub ntawv kev nyab xeeb
HS Code 2932990090
 
MSDS Cov Ntaub Ntawv
 
 
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile Siv Thiab Synthesis
Chemical Properties Dawb Khoom
Siv 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile yog nruab nrab hauv kev npaj ntawm poly (ADP-ribose) polymerase (PARP) inhibitors. Olaparib nruab nrab.
Synthesis ({{0}}oxo-1,3-dihydroisobenzofuran-1-yl)phosphonic acid (5.00 g, 0 { 19}}21 mol) hauv tetrahydrofuran (30 mL) tau ntxiv rau 150 mL puag ncig-hauv qab khob. Rau cov tshuaj no, triethylamine (5.6 mL, 0.042 mol) tau ntxiv. 2-Fluoro-5-formyl benzonitrile (3.08 g, 0.021 mol) tau yaj hauv tetrahydrofuran rau hauv lwm lub khob hauv qab, tom qab ntawd ntxiv triethylamine (2.9 mL, 0.021 mol) thiab nplawm tusyees. Tom qab ntawd cov tshuaj tiv thaiv cov kua dej hauv ob lub khob tau muab sib xyaw thiab ua rau hauv chav sov li 12 teev. Cov khoom yog concentrated nyob rau hauv lub siab txo thiab 50 mL dej ntxiv. Lub ncua kev kawm ntawv yog stirred rau 30 min kom txog thaum cov khib nyiab tsis precipitated. Thaum kawg, kev lim dej tau ua tiav, thiab cov ncuav qab zib lim tau sau thiab qhuav kom tau txais 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile (5.41 g, 97%).
2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile
 
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile Kev Npaj Khoom Siv Thiab Cov Khoom Raw
Cov khoom nyoos Benzonitrile, 5-ethenyl-2-fluoro--->3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid-->2-FLUORO-5-FORMYLBENZONITRILE
Cov khoom npaj 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzonitrile-->2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid

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