1-Benzyl-3-pyrrolidinol - CAS 775-15-5

Catalog:	BB035967
Product Name:	1-Benzyl-3-pyrrolidinol
CAS:	775-15-5
Synonyms:	1-benzylpyrrolidin-3-ol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-benzylpyrrolidin-3-ol
Description:	1-Benzyl-3-pyrrolidinol (CAS# 775-15-5) is a useful research chemical.
Molecular Weight:	177.24
Molecular Formula:	C11H15NO
Canonical SMILES:	C1CN(CC1O)CC2=CC=CC=C2
InChI:	InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChI Key:	YQMXOIAIYXXXEE-UHFFFAOYSA-N
Boiling Point:	113-115 °C (2 mmHg)
Density:	1.07 g/cm³
Appearance:	Dark brown viscous liquid
MDL:	MFCD00012132
LogP:	1.19110

Publication Number	Title	Priority Date
CN-112574087-A	Synthetic method of 3-aminopyrrolidine hydrochloride	20201221
CN-112574086-A	Synthetic method of 3-aminopyrrolidine hydrochloride	20201127
CN-113493628-A	Quantum dot ink and preparation method of quantum dot film	20200318
CN-110724084-A	Synthesis method of (S) -3-hydroxy-1-benzylpyrrolidine	20191118
WO-2020201096-A1	Imidazoline derivatives as cxcr4 modulators	20190329

PMID	Publication Date	Title	Journal
18086437	20071101	Cloning, sequence analysis, and expression in Escherichia coli of gene encoding N-Benzyl-3-pyrrolidinol dehydrogenase from Geotrichum capitatum	Journal of bioscience and bioengineering
17368401	20070201	Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum	Journal of bioscience and bioengineering
11735520	20011214	Preparation of (R)- and (S)-N-protected 3-hydroxypyrrolidines by hydroxylation with Sphingomonas sp. HXN-200, a highly active, regio- and stereoselective, and easy to handle biocatalyst	The Journal of organic chemistry

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Related Functional Groups

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Pyrrolidines

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1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1627185-88-9]
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol
[75847-73-3]
Enalapril
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GHS Hazard Statement:	H301 (95.12%): 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

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.115364102
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.115364102
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3