50824-05-0|1-(Bromomethyl)-4-(trifluoromethoxy)benzene| Ambeed

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Quality Control of [ 50824-05-0 ] Purity: 97% (stabilized withHQ+CaCO3) SDS Specification

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Product Details of [ 50824-05-0 ]

CAS No. :	50824-05-0
Formula :	C₈H₆BrF₃O
M.W :	255.03
SMILES Code :	FC(F)(F)OC1=CC=C(CBr)C=C1
MDL No. :	MFCD00061238
InChI Key :	JDNPUJCKXLOHOW-UHFFFAOYSA-N
Pubchem ID :	142785

Safety of [ 50824-05-0 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H314
Precautionary Statements:	P280-P305+P351+P338-P310
Class:	8
UN#:	3261
Packing Group:	Ⅱ

Application In Synthesis of [ 50824-05-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 50824-05-0 ]

[ 50824-05-0 ] Synthesis Path-Downstream 1~6

1
[ 50824-05-0 ]
[ 21642-98-8 ]
[ 950201-44-2 ]

Yield	Reaction Conditions	Operation in experiment
91%	With potassium carbonate; In acetonitrile; at 140℃; for 16.0h;	Commercially available 4-methoxy-2-oxo-l,2-dihydro-pyridine-3-carbonitrile (4.70 g, 31.29 mmol, 1 eq), 4-(trifluoromethoxy)benzylbromide (5.44 ml, 32.86 mmol, 1.05 eq) and K2CO3 (12.9 g, 93.8 mmol, 3 eq) were mixed in acetonitrile (200 ml). The mixture was heated at 140 0C for 16 hours into a sealed tube. The reaction was then cooled to room temperature and the solvents were evaporated in vacuum. The resulting residue was dissolved in DCM and filtered through a pad of celite. The filtrate was then concentrated in vacuo. Subsequently, the white solid thus obtained was triturated with di- ethylether to yield intermediate compound 10 as a white solid (9.20 g, 91 percent).

References: [1]Patent: WO2007/104783,2007,A2 .Location in patent: Page/Page column 43.

2
[ 53241-92-2 ]
[ 50824-05-0 ]
[ 1345869-51-3 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 6652 - 6656.

3
[ 6086-21-1 ]
[ 50824-05-0 ]
C₁₁H₁₁F₃N₃O⁽¹⁺⁾*Br^(1-) [ No CAS ]

References: [1]RSC Advances,2013,vol. 3,p. 3981 - 3989.

4
[ 1303587-99-6 ]
[ 50824-05-0 ]
2-chloro-8-(4-(trifluoromethoxy)benzyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
53%	With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20℃; for 1h;Inert atmosphere;	Synthesis of2-chloro-8-(4-(trifluoromethoxy) benzyl)-7, 8-dihydro-6H-pyrimido [5, 4-b] [I, 4] oxazine [0456] To a stirred solution of 2-chloro-7, 8-dihydro-6H-pyrimido [5, 4-b] [1, 4] oxazine (150 mg, 0.87 mmol) in DMF (5 mL) under argon atmosphere were added sodium hydride (42 mg, 1.75 mmol) and l-(bromomethyl)-4-(trifluoromethoxy) benzene (268 mg, 1.05 mmol) at 0C. The reaction mixture was warmed to RT and stirred for 1 h. After consumption of the starting materials (monitored by TLC), the reaction was diluted with water (20 mL) and extracted with EtOAc (2 x 20 mL). The combined organic extracts were dried over sodium sulfate, filtered and concentrated in vacuo. The crude material was purified by column chromatography using 40% EtOAc:hexane to afford 2-chloro-8-(4- (trifluoromethoxy) benzyl)-7, 8-dihydro-6H-pyrimido [5, 4-b] [1, 4] oxazine (160 mg, 53%>) as an off-white solid. 1H-NMR (DMSO-<, 400 MHz): delta 7.71 (s, 1H), 7.42 (d, 2H), 7.34 (d, 2H), 4.80 (s, 2H), 4.21-4.19 (m, 2H), 3.52-3.50 (m, 2H); LCMS: 345.8 (M+); (column; X- Select CSH C-18 (50 3.0 mm, 3.5 mupiiota); RT 3.94 min 0.05% Aq TFA: ACN; 0.80 mL/min); TLC: 60% EtOAc/hexane (R 0.6).

References: [1]Patent: WO2015/66697,2015,A1 .Location in patent: Paragraph 0456.

5
[ 617-05-0 ]
[ 50824-05-0 ]
ethyl 3-methoxy-4-((4-(trifluoromethoxy)benzyl)oxy)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
2.26 g		In a round bottomed flask with nitrogen inlet and magnetic stir bar, potassium carbonate (1.86 g, 13.46 mmol), <strong>[617-05-0]ethyl 4-hydroxy-3-methoxybenzoate</strong> (1.2 g, 6.12 mmol) and acetonitrile (26 mL) were added. Mixture was stirred for 30 minutes before l-(bromomethyl)-4- (trifluoromethoxy)benzene (1.72 g, 6.74 mmol) was added. Reaction was heated to reflux overnight and then, cooled to room temperature. Water 100 mL was added and the aqueous mixture was extracted with ethyl acetate (3 chi 50 mL). The combined organic layers were evaporated and then dried to get 2.26 g of ethyl 3-methoxy-4-((4- (trifluoromethoxy)benzyl)oxy)benzoate. (0294) 1H NMR (400 MHz, Chloroform-d) delta 7.61 (ddd, J = 8.4, 2.0, 0.8 Hz, 1H), 7.56 (s, 1H), 7.45 (d, J = 8.9 Hz, 2H), 7.21 (d, J = 8.1 Hz, 2H), 6.86 (d, J = 8.4 Hz, 1H), 4.33 (q, J = 7.4 Hz, 1H), 3.92 (s, 7H), 1.36 (t, J = 7.1 Hz, 2H).

References: [1]Patent: WO2018/144900,2018,A1 .Location in patent: Page/Page column 48.

6
[ 50824-05-0 ]
[ 4522-35-4 ]
[ 1379615-65-2 ]

References: [1]ACS Medicinal Chemistry Letters,2018,vol. 9,p. 1205 - 1210.

Historical Records

Technical Information

• Alkyl Halide Occurrence • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Nomenclature of Ethers • Preparation of Ethers • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Dihalides • Reactions of Ethers • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling

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CAS No.: 50824-05-0

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