2-(4-BROMO-BENZYL)-MALONICACIDDIETHYLESTER
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2-(4-BROMO-BENZYL)-MALONICACIDDIETHYLESTER
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CAS No:
70146-78-0
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Formula:
C14H17BrO4
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Chemical Name:
2-(4-BROMO-BENZYL)-MALONICACIDDIETHYLESTER
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Synonyms:
diethyl 2-(4-bromobenzyl)malonate;2-(4-BROMO-BENZYL)-MALONIC ACID DIETHYL ESTER;Diethyl 2-[(4-bromophenyl)methyl]propanedioate;diethyl 4-bromobenzylmalonate;SCHEMBL27747;CTK2H5485;DTXSID60446228;diethyl (4-bromophenyl)methylmalonate;ZINC22010220;AKOS017547650
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CAS No:
2-(4-BROMO-BENZYL)-MALONICACIDDIETHYLESTER Use and Manufacturing
To a solution Of CHTo a slurry of 60percent NaH (699 mg, 17.5 mmol) in TI-IF (20 ml) was added diethyl malonate (2.0 g, 13 mmol) dropwise and the reaction mixture was stirred at RT for 1 hr. The reaction mixture cooled to 0°C and a solution of l-bromo-4-(bromomethyl)benzene (3.13 g, 12.5 mmol) in THF (5 mL) was added dropwise. The reaction mixture was allowed to warm and stir for 14h at RT. The reaction mixture was quenched by the addition of EtOH, filteredthrough celite and the celite cake was washed with EtOAc. The filtrate was concentrated under reduced pressure and the residue was purified by silica gel chromatography eluting with 0 to 70percent EtOAc in hexane to give Compound 95f (1 .35 g, 33 percent yield) as a colorless oil. MS m/z = 329.0 (M+H). ‘H NIVLR (CHLOROFORM-d) 6: 7.38-7.52 (m, 2H), 7.07-7.20 (m, 21-1), 4.09-4.37 (m, 4H), 3.59 (t, J=7.8 Hz, 11-1), 3.16 (d, J=7.9 Hz, 2H), 1.56 (s, 1H), 1.22 (t, J7.2 Hz, 6H), -0.01-0.05 (m, 1H)
Computed Properties
Molecular Weight:329.19
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:328.03102
Monoisotopic Mass:328.03102
Topological Polar Surface Area:52.6
Heavy Atom Count:19
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Business licensed Certified factoryManufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acidInquiryCAS No.: 70146-78-0Grade: Industrial GradeContent: 95%
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