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877399-74-1

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877399-74-1 Structure

877399-74-1 Structure
IdentificationBack Directory
[Name]

tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate
[CAS]

877399-74-1
[Synonyms]

Crizotinib Impurity 2
Crizotinib Impurity 1
Crizotinib intermediates 2
InterMediate Ⅱ of Crizotinib
Borate fragment of crizotinib
1-Piperidinecarboxylic acid, 4
tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-
1-(N-Boc-piperidine-4-ly)-boronicacid pinacol ester
1-(1-Boc-4-piperidyl)pyrazole-4-boronic acid pinacol ester
1-(4-N-Boc-piperidine)pyrazole-4-boronic acid pinacol ester
1-(1-Boc-piperidin-4-yl)-pyrazole-4-boronic acid picol ester
1-(1-Boc-piperidin-4-yl)-pyrazole-4-boronic acid pinacol ester
tert-butyl 4-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H
5-BroMo-3-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-2-ylaMine
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl)piperidine-1-carb
2-[1-(1-Boc-piperidin-4-yl)pyrazol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate
tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-car
tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carbox
tert-Butyl 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
tert-butyl 4-(4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
tert-Butyl 4-[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxyla
tert-butyl 4-(3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrol-1-yl)piperidine-1-carboxylate
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylatetert-Butyl
tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate
tert-Butyl 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate >
1-Piperidinecarboxylic acid, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]-, 196%
4-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) -1H-PYRAZOL-1-YL]PIPERIDINE-1-CARBOXYLATE_ 877399-74-1
tert-Butyl 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate ISO 9001：2015 REACH
1-Piperidinecarboxylic acid, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
4 - [4 - (4 - (4,4,5,5 31 - methyl - 1-2 oxygen mixed boron borane - 2 - base) - 1 h - pyrazole - 1 - base] piperidine - 1 - formic acid tert-butyl ester
[EINECS(EC#)]

800-459-4
[Molecular Formula]

C19H32BN3O4
[MDL Number]

MFCD11112131
[MOL File]

877399-74-1.mol
[Molecular Weight]

377.29
Chemical PropertiesBack Directory
[Melting point ]

114.0 to 118.0 °C
[Boiling point ]

492.8±35.0 °C(Predicted)
[density ]

1.14±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[form ]

powder to crystal
[pka]

2.89±0.19(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C19H32BN3O4/c1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20/h12-13,15H,8-11H2,1-7H3
[InChIKey]

QSQWENQPOSRWLP-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCC(N2C=C(B3OC(C)(C)C(C)(C)O3)C=N2)CC1
Questions And AnswerBack Directory
[Uses]

4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxacyclopentaborane-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester is an intermediate in organic synthesis and pharmaceutical research and development, and can be used in laboratory organic synthesis processes.
[Application]

4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxacyclopentaborane-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester is mainly used as a pharmaceutical intermediate.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate(877399-74-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

Method 1:     To a solution of tert-butyl 4-(4-iodo-lH-pyrazol-l-yl)piperidine-l -carboxylate (1.00 g, 2.650 mmol) in DMSO (11 mL) were added 4,4,4,,4,,5,5,5,5-octamethyl-2,2**,-bi(l,3,2- dioxaborolane) (942.5 mg, 3.710 mmol) and CH3COOK (1.04 g, 10.60 mmol) sequentially. The mixture was degassed and charged with N2 several times, then Pd(PPh3)2Cl2 (93.0 mg, 0.130 mmol) was added. The resulted mixture was stirred at 80 °C for 2 hours, then cooled to rt, and filtered through a pad of celite. The filtrate was washed with brine (100 mL x 3), dried over anhydrous Na2S04, and concentrated in vacuo. The residue was purified by a silica gel column chromatography (PE/EtOAc (v/v) = 5/1) to give the title compound as a white solid (878.6 mg, 87.9percent). MS (ESI, pos. ion) m/z: 378.0 (M+l).tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate
[References]

[1] Patent: WO2014/193647, 2014, A2. Location in patent: Paragraph 0185
[2] Patent: CN104119331, 2018, B. Location in patent: Paragraph 0382; 0390; 0391
[3] Patent: WO2010/68292, 2010, A1. Location in patent: Page/Page column 85-86
[4] Patent: WO2014/89280, 2014, A1. Location in patent: Page/Page column 50
[5] Patent: CN103833753, 2017, B. Location in patent: Paragraph 0352; 0358; 0359
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