1-methyl-2-pyrrolidinemethanol - CAS 3554-65-2

Name: 1-methyl-2-pyrrolidinemethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022672
Product Name:	1-methyl-2-pyrrolidinemethanol
CAS:	3554-65-2
Synonyms:	(1-methyl-2-pyrrolidinyl)methanol; (1-methylpyrrolidin-2-yl)methanol

Technical Data

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Literatures

Computed Properties

IUPAC Name:	(1-methylpyrrolidin-2-yl)methanol
Description:	1-methyl-2-pyrrolidinemethanol (CAS# 3554-65-2) is a useful research chemical and a pharmaceutical intermediate. It acts as a reagent in the synthesis of amidines and guanidines with potent antimalarial activity.
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
InChI Key:	VCOJPHPOVDIRJK-UHFFFAOYSA-N
Boiling Point:	164.8 °C at 760 mmHg
Density:	0.973 g/cm³
MDL:	MFCD00011727
LogP:	0.01080

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Related Functional Groups

Alcohols and Derivatives

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[6712-35-2]C11H12O
2-Phenyl-4-pentyn-2-ol
[1017184-54-1]C9H14N2O
3-Amino-2-(2-pyridylmethyl)-1-propanol
[906075-48-7]C8H9NOS
3-Hydroxy-2-(2-thienylmethyl)propanenitrile
[340774-59-6]C8H8O3S
3-Hydroxy-2,3-dihydrobenzothiophene 1,1-Dioxide
[1299597-30-0]C11H14O4
5-(3'-Hydroxyphenyl)-γ-hydroxyvaleric acid

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

Publication Number	Title	Priority Date
WO-2021168193-A1	Pyridopyrimidine derivatives as kras inhibitors	20200220
WO-2021154842-A1	Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding	20200128
WO-2021109737-A1	Oxygen-containing heterocyclic compound, preparation method and application thereof	20191202
WO-2021106231-A1	A compound having inhibitory activity against kras g12d mutation	20191129
WO-2021107160-A1	A compound having inhibitory activity against kras g12d mutation	20191129

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

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
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:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1