(R)-1-Boc-2-azetidinemethanol - CAS 161511-90-6

Catalog:	BB011749
Product Name:	(R)-1-Boc-2-azetidinemethanol
CAS:	161511-90-6
Synonyms:	(2R)-2-(hydroxymethyl)-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
Description:	(R)-1-Boc-2-azetidinemethanol (CAS# 161511-90-6) is used for efficient asymmetric synthesis of oral analgesic.
Molecular Weight:	187.24
Molecular Formula:	C9H17NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC1CO
InChI:	InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChI Key:	XIRUXUKRGUFEKC-SSDOTTSWSA-N
Boiling Point:	270.349 °C at 760 mmHg
Density:	1.116 g/cm³
MDL:	MFCD03790937
LogP:	0.92600

Publication Number	Title	Priority Date
WO-2020216773-A1	4h-pyrrolo[3,2-c]pyridin-4-one compounds	20190424
US-2020115389-A1	Fused tricyclic ring derivatives as src homology-2 phosphatase inhibitors	20180918
WO-2020061103-A1	Fused tricyclic ring derivatives as src homology-2 phosphatase inhibitors	20180918
TW-202026299-A	Fused tricyclic ring derivatives as src homology-2 phosphatase inhibitors	20180918
US-2020277308-A1	Fused tricyclic ring derivatives as src homology-2 phosphatase inhibitors	20180918

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Related Functional Groups

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Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	187.1208434
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.1208434
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6