N-Methyl-L-prolinol - CAS 34381-71-0

Catalog:	BB022106
Product Name:	N-Methyl-L-prolinol
CAS:	34381-71-0
Synonyms:	(S)-(-)-1-Methyl-2-pyrrolidinemethanol; (S)-(1-methylpyrrolidin-2-yl)methanol

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Computed Properties

IUPAC Name:	[(2S)-1-methylpyrrolidin-2-yl]methanol
Description:	N-Methyl-L-prolinol (CAS# 34381-71-0) is a reagent used in the synthesis of novel 4-hydroxytamoxifen analogs used as estrogen-related receptor γ (ERRγ) inverse agonists.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	CN1CCCC1CO
InChI:	InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChI Key:	VCOJPHPOVDIRJK-LURJTMIESA-N
Boiling Point:	164.8±13.0 °C at 760 mmHg
Density:	1.0±0.1 g/cm³
MDL:	MFCD06200823
LogP:	0.01080

Publication Number	Title	Priority Date
WO-2021211864-A1	Fused tricyclic kras inhibitors	20200416
CN-112142735-A	Condensed cyanopyridine compound, preparation method and application	20200409
CN-112142735-B	Condensed cyanopyridine compound, preparation method and application	20200409
WO-2021191380-A1	Triazolone compounds	20200326
US-2021292330-A1	Pyrrolidine-fused heterocycles	20200228

PMID	Publication Date	Title	Journal
22250136	20120109	Chiral ammonium-capped rhodium(0) nanocatalysts: synthesis, characterization, and advances in asymmetric hydrogenation in neat water	ChemSusChem
20623055	20100907	Computational investigation on the mechanism and the stereoselectivity of Morita-Baylis-Hillman reaction and the effect of the bifunctional catalyst N-methylprolinol	Organic & biomolecular chemistry
16637603	20060503	Enantioselective, facially selective carbomagnesation of cyclopropenes	Journal of the American Chemical Society
15616694	20050101	Intramolecular electron transfer in diastereomeric naphthalene-amine dyads: a fluorescence and laser flash photolysis study	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology

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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:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	115.099714038
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1