[ CAS No. 1155511-07-1 ] {[proInfo.proName]}

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Quality Control of [ 1155511-07-1 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 1155511-07-1 ]

CAS No. :	1155511-07-1	MDL No. :	MFCD12641995
Formula :	C₁₂H₁₅BrO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	271.15	Pubchem ID :	-
Synonyms :

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Application In Synthesis of [ 1155511-07-1 ]

* 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 [ 1155511-07-1 ]

[ 1155511-07-1 ] Synthesis Path-Downstream 1~10

1
[ 130233-16-8 ]
[ 591-20-8 ]
[ 1155511-07-1 ]

Yield	Reaction Conditions	Operation in experiment
88%	With potassium carbonate In N,N-dimethyl-formamide at 150℃; for 2h;	175a 175a) 2-((3-Bromophenoxy)methyl)tetrahydro-2H-pyran 175a) 2-((3-Bromophenoxy)methyl)tetrahydro-2H-pyran A solution of 3-bromophenol (1 g, 5.78 mmol) in DMF (20 mL) was added 2- (bromomethyl)tetrahydro-2H-pyran (1 .035 g, 5.78 mmol) and K2C03 (2.397 g, 17.34 mmol) slowly under 20 °C. The reaction mixture was stirred at 150 °C for 2 h. 10mL of water was added and extracted with ethyl acetate (3x). The combined organic layer was washed with brine, dried over Na2S04 and concentrated. The residue was purified on silica gel chromatography (hexane: ethyl acetate=5:1) to obtain the title compound 2-((3- bromophenoxy)methyl)tetrahydro-2H-pyran (1 .53 g, 5.08 mmol, 88 % yield). LC-MS m/z 271 .0 (M+H)+, 2.1 1 min (ret. time).
	With potassium carbonate In N,N-dimethyl-formamide at 125℃; for 3h;	AB.2 3-Bromophenol (10 g, 57.8 mmol), 2-(bromomethyl)-tetrahydropyran (25 g, 140 mmol) and potassium carbonate (24 g, 173 mmol) were suspended in DMF (60 ml_) and heated with stirring to 125 °C for 3 h. The reaction mixture was then allowed to cool and concentrated under reduced pressure. The residual crude material was taken up with EtOAc and the organic phase was repeatedly washed with brine, dried and concentrated and further dried under high vacuum to give the title compound as a yellow oil. MS m/z 273 (M+H+). 1 H-NMR (MeOH d,, 400 MHz) 7.19 (t, 1 H), 7.14-7.09 (m, 2H), 6.84 (d, 1 H), 3.99 (d, 1 H), 3.64 (dd, 1 H), 3.43 (d, 1 H), 1.98-1.83 (m, 1 H), 1.64-1.49 (m, 4H), 1.42-1.39 (m, 1 H).

Reference： [1]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2017/60854, 2017, A1 Location in patent: Page/Page column 453
[2]Current Patent Assignee: IRM LLC; Novartis (w/o Sandoz); NOVARTIS AG - WO2011/29915, 2011, A1 Location in patent: Page/Page column 66

2
[ 1155511-07-1 ]
[ 73183-34-3 ]
[ 1272666-94-0 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium acetate In N,N-dimethyl-formamide at 80℃; for 15h; Inert atmosphere;	AB A mixture of the enantiomers of 2-(3-bromo-phenoxymethyl)-tetrahydro-pyran (Step AB.2, 500 mg, 1.84 mmol), bis-(pinacolato)diboran (609 mg, 2.40 mmol), potassium acetate (452 mg, 4.61 mmol), 1 ,1 '-bis(diphenylphosphino)ferrocene (135 mg, 0.24 mmol), 1 ,1 '- bis(diphenylphosphino)ferrocenedichloro palladium(ll) dichloromethane complex (135 mg, 0.18 mmol) and DMF (4.7 ml) were heated at 80 °C under an argon atmosphere. After 15 hours at 80 °C the reaction mixture was cooled, DCM added, the organic layers washed with water then brine, and dried over sodium sulphate. The crude material was prepabsorbed onto silica gel and then purified by normal phase flash column chromatography, eluting with a methanol / DCM gradient, to give the title compound. HPLC/MS tR 1.61 min, M+H 319.0 (Method X).

Reference： [1]Current Patent Assignee: IRM LLC; Novartis (w/o Sandoz); NOVARTIS AG - WO2011/29915, 2011, A1 Location in patent: Page/Page column 66

3
[ 1155511-07-1 ]
7-[3-((R)-3-fluoropyrrolidin-1-ylmethyl)cyclobutyl]-5-[3-(tetrahydropyran-2-ylmethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: potassium acetate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; 1,1'-bis-(diphenylphosphino)ferrocene / N,N-dimethyl-formamide / 15 h / 80 °C / Inert atmosphere 2: sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide; water / 18 h / 80 °C / Inert atmosphere 3: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / acetonitrile / 1 h / 80 °C 4: N-ethyl-N,N-diisopropylamine; sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane / 2 h / 20 °C