[ CAS No. 1214900-63-6 ]

Name: 1214900-63-6|6-Bromo-4-fluoro-3-methyl-1H-indazole|98%
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SKU: A331981
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COA NMR CNMR HPLC LC-MS

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Product Details of [ 1214900-63-6 ]

CAS No. :	1214900-63-6	MDL No. :	MFCD19689535
Formula :	C₈H₆BrFN₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	229.05 g/mol	Pubchem ID :	-
Synonyms :

Safety of [ 1214900-63-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1214900-63-6 ]

* 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 [ 1214900-63-6 ]

[ 1214900-63-6 ] Synthesis Path-Downstream 1~7

1
[ 110-87-2 ]
[ 1214900-63-6 ]
[ 1214900-61-4 ]

Yield	Reaction Conditions	Operation in experiment
85%	With toluene-4-sulfonic acid In dichloromethane at 20℃; for 72h;	Preparation 69: 6-bromo-4-fluoro-3-methyl- 1-(tetrahydro-2H-pyran-2-yl)-1H- indazole p-Toluenesulfonic acid (236 mg, 1.24 mmol) was added to a solution of 6-bromo-4-fluoro-3-methyl-1H-indazole (2.84 g, 12.4 mmol) in dichloromethane (41 mL),followed by 3,4-dihydro-2H-pyran (3.13 g, 37.2 mmol) and the reaction mixture was stirred at rt for 3 days. The reaction mixture filtered through a pad of silica gel and the filtrated was concentrated in vacuo to yield 6-bromo-4-fluoro-3-methyl-1-(tetrahydro-2H- pyran-2-yl)-1H-indazole (3.3 g, 10.5 mmol, 85 % yield). (m/z): [M+Naj calcd for C13H14BrFN2NaO 335.02 found 335.4.

Reference： [1]Current Patent Assignee: THERAVANCE BIOPHARMA, INC. - WO2019/27960, 2019, A1 Location in patent: Page/Page column 125; 126

2
[ 746630-34-2 ]
6-bromo-4-fluoro-3-methyl-1H-indazole [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 3187 - 3197

3
[ 1214900-63-6 ]
[ 2095484-20-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: copper diacetate; pyridine / dichloromethane / 20 °C 2: 1,1'-bis(di-tert-butylphosphino)ferrocenepalladium(II) dichloride; potassium phosphate / water; acetonitrile / 2 h / 100 °C / Inert atmosphere; Microwave irradiation; Sealed tube

Reference： [1]McCoull, William; Bailey, Andrew; Barton, Peter; Birch, Alan M.; Brown, Alastair J. H.; Butler, Hayley S.; Boyd, Scott; Butlin, Roger J.; Chappell, Ben; Clarkson, Paul; Collins, Shelley; Davies, Robert M. D.; Ertan, Anne; Hammond, Clare D.; Holmes, Jane L.; Lenaghan, Carol; Midha, Anita; Morentin-Gutierrez, Pablo; Moore, Jane E.; Raubo, Piotr; Robb, Graeme [Journal of Medicinal Chemistry, 2017, vol. 60, # 7, p. 3187 - 3197]

4
[ 1214900-63-6 ]
[ 5720-05-8 ]
[ 2095772-77-1 ]

Yield	Reaction Conditions	Operation in experiment
61%	With pyridine; copper diacetate In dichloromethane at 20℃;

5
[ 1449008-09-6 ]
[ 1214900-63-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: tetrahydrofuran; diethyl ether / 21.5 h / -78 - 20 °C / Inert atmosphere 2: hydrazine hydrate / tetrahydrofuran / 4.5 h / 20 - 80 °C

6
[ 183065-68-1 ]
[ 1214900-63-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: dmap; N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 16 h / 20 °C / Cooling with ice 2: tetrahydrofuran; diethyl ether / 21.5 h / -78 - 20 °C / Inert atmosphere 3: hydrazine hydrate / tetrahydrofuran / 4.5 h / 20 - 80 °C

7
[ 870837-43-7 ]
[ 1214900-63-6 ]
[ 2763537-66-0 ]

Yield	Reaction Conditions	Operation in experiment
12%	With palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride; triethylamine In N,N-dimethyl-formamide at 120℃; for 2h;	34 Example 34: (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-fluoro-3-methyl-1H-indazol-6- yl)acrylamide Into a 8-mL vial, was placed 6-bromo-4-fluoro-3-methyl-1H-indazole (Example 24, Step 1, 100.0 mg, 0.44 mmol, 1.0 equiv), N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide (81.8 mg, 0.44 mmol, 1.0 equiv), Pd(dppf)Cl2 (31.9 mg, 0.04 mmol, 0.10 equiv), Et3N (0.18 mL, 1.31 mmol, 3.0 equiv), DMF (4.0 mL). The resulting solution was stirred for 2 h at 120 °C in an oil bath. The reaction mixture was cooled. The residue was applied onto a silica gel column with PE/THF (1/1). This resulted in 17 mg (12%) of (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-fluoro-3-methyl- 1H-indazol-6-yl)acrylamide as a solid. LC MS (ES, m/z): [M+H]+=336 1H-NMR (300 MHz, DMSO-d6, ppm) δ 13.09 (s, 1H), 8.47 (d, J = 8.1 Hz, 1H), 7.61 (d, J = 15.6 Hz, 1H), 7.48 (s, 1H), 7.35 -7.15 (m, 4H), 7.01 (d, J = 12.0 Hz, 1H), 6.73 (d, J = 15.6 Hz, 1H), 5.49-5.36 (m, 1H), 3.06 -2.76 (m, 2H), 2.56 (s, 3H), 2.47-2.38 (m, 1H), 1.92-1.76 (m, 1H).
12%	With palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride; triethylamine In N,N-dimethyl-formamide at 120℃; for 2h;	34 Example 34: (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-fluoro-3-methyl-1H-indazol-6- yl)acrylamide Into a 8-mL vial, was placed 6-bromo-4-fluoro-3-methyl-1H-indazole (Example 24, Step 1, 100.0 mg, 0.44 mmol, 1.0 equiv), N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide (81.8 mg, 0.44 mmol, 1.0 equiv), Pd(dppf)Cl2 (31.9 mg, 0.04 mmol, 0.10 equiv), Et3N (0.18 mL, 1.31 mmol, 3.0 equiv), DMF (4.0 mL). The resulting solution was stirred for 2 h at 120 °C in an oil bath. The reaction mixture was cooled. The residue was applied onto a silica gel column with PE/THF (1/1). This resulted in 17 mg (12%) of (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-fluoro-3-methyl- 1H-indazol-6-yl)acrylamide as a solid. LC MS (ES, m/z): [M+H]+=336 1H-NMR (300 MHz, DMSO-d6, ppm) δ 13.09 (s, 1H), 8.47 (d, J = 8.1 Hz, 1H), 7.61 (d, J = 15.6 Hz, 1H), 7.48 (s, 1H), 7.35 -7.15 (m, 4H), 7.01 (d, J = 12.0 Hz, 1H), 6.73 (d, J = 15.6 Hz, 1H), 5.49-5.36 (m, 1H), 3.06 -2.76 (m, 2H), 2.56 (s, 3H), 2.47-2.38 (m, 1H), 1.92-1.76 (m, 1H).

Reference： [1]Current Patent Assignee: NRG THERAPEUTICS - WO2022/49376, 2022, A1 Location in patent: Page/Page column 82
[2]Current Patent Assignee: NRG THERAPEUTICS - WO2022/49376, 2022, A1 Location in patent: Page/Page column 82

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[ CAS No. 1214900-63-6 ]

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[ 1214900-63-6 ] Synthesis Path-Downstream 1~7

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