2-Boc-5-hydroxy-2-azabicyclo[2.2.1]heptane - CAS 207405-60-5

Catalog:	BB016254
Product Name:	2-Boc-5-hydroxy-2-azabicyclo[2.2.1]heptane
CAS:	207405-60-5
Synonyms:	5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester; tert-butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
Description:	2-Boc-5-hydroxy-2-azabicyclo[2.2.1]heptane (CAS# 207405-60-5 ) is a useful research chemical.
Molecular Weight:	213.27
Molecular Formula:	C11H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC2CC1CC2O
InChI:	InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-9,13H,4-6H2,1-3H3
InChI Key:	HDPGSWMTDGGUEB-UHFFFAOYSA-N
MDL:	MFCD11865204
LogP:	1.31450

Publication Number	Title	Priority Date
WO-2021133809-A1	Inhibitors of mutant forms of egfr	20191223
US-2021094971-A1	Heterocyclic compounds	20190909
WO-2021048036-A1	4,4a,5,7,8,8a-hexapyrido[4,3-b][1,4]oxazin-3-one compounds as magl inhibitors	20190909
WO-2020244452-A1	HETEROCYCLIC DERIVATIVE HAVING Î²2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF	20190606
CA-3068928-A1	Fxr agonist	20170706

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Related Functional Groups

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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+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.13649347
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.13649347
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1