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

CAS NO.：877399-74-1
Empirical Formula: C19H32BN3O4
Molecular Weight: 377.29
MDL number: MFCD11112131
EINECS: 800-459-4
SAFETY DATA SHEET (SDS)
Update Date: 2024-01-01 23:31:51

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

Synthesis

Synthesis of tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate from 1-Boc-4-(4-Iodo-1H-pyrazol-1-yl)piperidine and 1-4,4,4',4',5,5,5',5'-Octamethyl-2,2'-bi(1,3,2-dioxaborolane), which can also be obtained by purification and isolation from tert-Butyl 4-((methylsulfonyl)oxy)piperidine-1-carboxylate.

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

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

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

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

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention.

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

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

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