(R)-(-)-1-Cbz-3-pyrrolidinol - CAS 100858-33-1

Name: (R)-(-)-1-Cbz-3-pyrrolidinol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000368
Product Name:	(R)-(-)-1-Cbz-3-pyrrolidinol
CAS:	100858-33-1
Synonyms:	(3R)-3-hydroxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate
Description:	(R)-(-)-1-Cbz-3-pyrrolidinol (CAS# 100858-33-1) is a useful research chemical.
Molecular Weight:	221.25
Molecular Formula:	C12H15NO3
Canonical SMILES:	C1CN(CC1O)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m1/s1
InChI Key:	MBLJFGOKYTZKMH-LLVKDONJSA-N
Boiling Point:	370.7 °C at 760 mmHg
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.263 g/cm³
MDL:	MFCD07368258
LogP:	1.32770

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113149972-A	2- (aryl (azacycloalkane-1-yl) methyl) phenol derivatives and use thereof	20210409
JP-2021070691-A	Drugs consisting of oxo-substituted compounds	20191025
WO-2020021064-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4	20180726
AU-2019309448-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mGluR4	20180726
CA-3102326-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4	20180726

Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	221.10519334
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.10519334
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1