3-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE
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3-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE
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CAS No:
85366-66-1
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Formula:
C8H4BrF3O2
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Chemical Name:
3-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE
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Synonyms:
3-Bromo-4-(trifluoromethoxy)benzaldehyde;3-BROMO-4-TRIFLUOROMETHOXYBENZALDEHYDE;Benzaldehyde, 3-bromo-4-(trifluoromethoxy)-;3-Bromo-4-trifluoromethoxy-benzaldehyde;SCHEMBL670456;CTK7H9183;KS-00000ROE;DTXSID50522348;3bromo-4-trifluoromethoxybenzaldehyde;CL8996
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CAS No:
3-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE Basic Attributes
269.02
267.93500
DTXSID50522348
2913000090
3-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE Use and Manufacturing
To 68 g (0.36 mol) of 4-Trifluoromethoxybenzaldehyde dissolved in a mixture of 100 ml CHGeneral procedure: Aldehyde (10.0 mmol) was dissolved in freshly distilled CH2Cl2 (50 mL) under nitrogen. HBF4*OEt2 (0.14 mL, 1.0 mmol) was added followed by another portion of CH2Cl2 (50 mL) and then the reaction mixture was stirred at -78 oC for at least 15 minutes. Ethyl diazoacetate (1.45 mL, 12.0 mmol) contains 87 % by wt. was diluted in freshly distilled CH2Cl2 (25 mL) and drawn into a gas-tight syringe. The diluted ethyl diazoacetate was then added to the reaction mixture over a period of 5-6 h with the help of a syringe pump. The reaction mixture was allowed to stir at -78 oC for an additional 12 h. The reaction was quenched by adding THF. Then it was filtered through a silica plug and the solvent was removed in vacuo. The crude residue was purified by flash column chromatography over silica gel to afford the desired product.Example 192: 1, 1, 1, 3, 3, 3-Hexafluoropropan-2-yl 3, 3-dimethyl-2-(5-(morpholinomethyl)-2- (trifluoromethoxy)benzyl)-2, 8-diazaspiro[4.5]decane-8-carboxylate Step 1: Synthesis 4-(3-bromo-4-(trifluoromethoxy)benzyl)mor holine A flask was charged with
Computed Properties
Molecular Weight:269.01
XLogP3:3.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:267.93468
Monoisotopic Mass:267.93468
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE
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