3-Amino-1-Boc-5,5-difluoropiperidine - CAS 1258638-82-2

Catalog:	BB006270
Product Name:	3-Amino-1-Boc-5,5-difluoropiperidine
CAS:	1258638-82-2
Synonyms:	5-amino-3,3-difluoro-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 5-amino-3,3-difluoropiperidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 5-amino-3,3-difluoropiperidine-1-carboxylate
Description:	3-Amino-1-Boc-5,5-difluoropiperidine (CAS# 1258638-82-2) is a useful research chemical.
Molecular Weight:	236.26
Molecular Formula:	C10H18F2N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(CC(C1)(F)F)N
InChI:	InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-7(13)4-10(11,12)6-14/h7H,4-6,13H2,1-3H3
InChI Key:	YHFQRFDPXSAJPK-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD18433745
LogP:	2.22800

Publication Number	Title	Priority Date
WO-2021048200-A1	Novel quinoline compounds for the treatment of autoimmune disease	20190910
WO-2020249664-A1	Sulfonylurea derivatives and uses thereof	20190612
WO-2020030924-A1	Thiazoleureas as anticancer agents	20180810
AU-2016319125-A1	Inhibitors of cyclin-dependent kinases	20150909
EP-3347018-A2	Inhibitors of cyclin-dependent kinases	20150909

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.13363415
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	236.13363415
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1