1-Boc-3-pyrrolidinol - CAS 103057-44-9

Catalog:	BB001005
Product Name:	1-Boc-3-pyrrolidinol
CAS:	103057-44-9
Synonyms:	tert-butyl 3-hydroxypyrrolidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-hydroxypyrrolidine-1-carboxylate
Description:	1-Boc-3-pyrrolidinol (CAS# 103057-44-9) is an intermediate for the preparation of pyrrolidinone-containing pseudopeptides, inhibitors of HIV-1 protease.
Molecular Weight:	187.24
Molecular Formula:	C9H17NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)O
InChI:	InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3
InChI Key:	APCBTRDHCDOPNY-UHFFFAOYSA-N
Boiling Point:	273.3 °C at 760 mmHg
Purity:	97.0 %
Density:	1.142 g/cm³
MDL:	MFCD04038535
LogP:	0.92600

Publication Number	Title	Priority Date
CN-113025588-A	Alcohol dehydrogenase KpADH mutant capable of catalyzing synthesis of piperidine compounds	20210330
CN-111662296-A	Hydroxamic acid derivative containing pyrazolopyrimidine and preparation method and application thereof	20200602
CN-113354635-A	Pyrrolidine integrin regulator and application thereof	20200306
WO-2021175196-A1	Pyrrolidine integrin modulator and use thereof	20200306
WO-2021154842-A1	Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding	20200128

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Related Functional Groups

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Pyrrolidines

[18471-41-5]
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[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[1627185-88-9]
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[36821-26-8]
Ethyl 2-oxopyrrolidine-3-carboxylate
[198959-37-4]
Methyl pyrrolidine-3-carboxylate hydrochloride

GHS Hazard Statement:	H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.12084340
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.12084340
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6