tert-Butyl N-(2,3-dihydroxypropyl)carbamate - CAS 137618-48-5

Name: tert-Butyl N-(2,3-dihydroxypropyl)carbamate
Brand: BOC Sciences
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Catalog:	BB008628
Product Name:	tert-Butyl N-(2,3-dihydroxypropyl)carbamate
CAS:	137618-48-5
Synonyms:	tert-butyl N-(2,3-dihydroxypropyl)carbamate

Technical Data

IUPAC Name:	tert-butyl N-(2,3-dihydroxypropyl)carbamate
Description:	tert-Butyl N-(2,3-dihydroxypropyl)carbamate (CAS# 137618-48-5) is a reagent used in the synthesis of analogs of Vestipitant, potent and orally NK1 antagonists. Also, it is the used in the synthesis of N-Boc-2-aminoacetaldehyde (B600600), which is used in the synthesis of carbohydrates as well as studies relating to inhibitors of cathepsin K.
Molecular Weight:	191.22
Molecular Formula:	C8H17NO4
Canonical SMILES:	CC(C)(C)OC(=O)NCC(CO)O
InChI:	InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-4-6(11)5-10/h6,10-11H,4-5H2,1-3H3,(H,9,12)
InChI Key:	OWAMQHJPVUGZSB-UHFFFAOYSA-N
Boiling Point:	361.6 °C at 760 mmHg
Density:	1.136 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
LogP:	0.25520

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021153665-A1	Novel alkyne derivative	20200130
WO-2021150574-A1	Sulfonimidamide compounds as nlrp3 modulators	20200122
CN-112876419-A	Allylamine derivatives, process for producing the same and use thereof	20191129
CN-110845724-A	Polyamino acid, preparation method and application thereof	20191121
CN-110845724-B	Polyamino acid, preparation method and application thereof	20191121

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.11575802
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	191.11575802
Rotatable Bond Count:	5
Topological Polar Surface Area:	78.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4