(S)-N-Boc-3-(Hydroxymethyl)morpholine - CAS 714971-28-5

Catalog:	BB034402
Product Name:	(S)-N-Boc-3-(Hydroxymethyl)morpholine
CAS:	714971-28-5
Synonyms:	(S)-4-Boc-(3-hydroxymethyl)morpholine; (S)-tert-butyl 3-(hydroxymethyl)morpholine-4-carboxylate; (S)-N-BOC-3-hydroxymethylmorpholine; 3(S)-Hydroxymethyl-4-Boc-morpholine

Catalog	Size	Price	Stock	Quantity
BB034402	10 g	$290	In stock
BB034402	100 g	$990	In stock

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Technical Data

IUPAC Name:	tert-butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate
Description:	An intermediate of BMS-599626, a selective and orally efficacious inhibitor of human epidermal growth factor receptor 1 and 2 kinases.
Molecular Weight:	217.26
Molecular Formula:	C10H19NO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCOCC1CO
InChI:	InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChI Key:	AIQSXVGBMCJQAG-QMMMGPOBSA-N
Boiling Point:	320.7±27.0 °C (Predicted)
Melting Point:	80 °C
Purity:	98%
Density:	1.118 g/cm³
Appearance:	White Powder
MDL:	MFCD06799478
LogP:	0.55250

Publication Number	Title	Priority Date
US-2021269400-A1	Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors	20200224
WO-2021173111-A1	Potent human neuronal nitric oxide synthase inhibitors	20200224
WO-2021043208-A1	3, 5-disubstituted pyrazole compounds as kinase inhibitors and uses thereof	20190906
WO-2020216781-A1	4h-pyrrolo[3,2-c]pyridin-4-one compounds	20190424
TW-202106683-A	4h-pyrrolo[3,2-c]pyridin-4-one compounds	20190424

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	217.13140809
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.13140809
Rotatable Bond Count:	3
Topological Polar Surface Area:	59
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1