1-Boc-azetidine-3-yl-methanol - CAS 142253-56-3

Catalog:	BB009332
Product Name:	1-Boc-azetidine-3-yl-methanol
CAS:	142253-56-3
Synonyms:	1-Boc-azetidine-3-ylmethanol; 3-hydroxymethylazetidine-1-carboxylic acid tert-butyl ester

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate
Description:	1-Boc-azetidine-3-yl-methanol is a non-cleavable ADC linker and also an alkyl chain-based PROTAC linker.
Molecular Weight:	187.24
Molecular Formula:	C9H17NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C1)CO
InChI:	InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h7,11H,4-6H2,1-3H3
InChI Key:	HXRDRJKAEYHOBB-UHFFFAOYSA-N
Boiling Point:	268-273°C at 760 mmHg
Melting Point:	55°C
Density:	1.115 g/cm3
Appearance:	White to Off-white Solid
MDL:	MFCD06656141
LogP:	0.78350

Publication Number	Title	Priority Date
CN-113264937-A	4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof	20210608
CN-112574216-A	Compound, preparation method thereof and application thereof in preparing anti-cancer drugs	20201216
WO-2021207291-A1	Compounds and uses thereof	20200406
WO-2021194878-A1	Selective modulators of mutant lrrk2 proteolysis and associated methods of use	20200321
WO-2021170109-A1	Tropomyosin receptor kinase (trk) degradation compounds and methods of use	20200226

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.12084340
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.12084340
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5