(R)-1-Boc-3-pyrrolidinemethanol - CAS 138108-72-2

Name: (R)-1-Boc-3-pyrrolidinemethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008714
Product Name:	(R)-1-Boc-3-pyrrolidinemethanol
CAS:	138108-72-2
Synonyms:	(3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Description:	(R)-N-Boc-pyrrolidine-3-methanol, can be used in the preparation of 3-pyridyl ether scaffold bearing a cyclopropane-containing side chain, acting as novel antidepressants that act as partial agonists at α4β2-nicotinic acetylcholine receptors.
Molecular Weight:	201.26
Molecular Formula:	C10H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)CO
InChI:	InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1
InChI Key:	HKIGXXRMJFUUKV-MRVPVSSYSA-N
Boiling Point:	289.5 °C at 760 mmHg
Density:	1.084 g/cm³
Appearance:	Colorless to yellow liquid
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD03094725
LogP:	1.17360

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

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Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	201.13649347
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8