1-Boc-3-cyanopyrrolidine - CAS 476493-40-0

Catalog:	BB026354
Product Name:	1-Boc-3-cyanopyrrolidine
CAS:	476493-40-0
Synonyms:	3-cyano-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-cyanopyrrolidine-1-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	tert-butyl 3-cyanopyrrolidine-1-carboxylate
Description:	1-Boc-3-cyanopyrrolidine (CAS# 476493-40-0) is used to prepare aroyl-substituted pyrrolidines with monoamine reuptake inhibition activities.
Molecular Weight:	196.25
Molecular Formula:	C10H16N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)C#N
InChI:	InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3
InChI Key:	VDDMCMFPUSCJNA-UHFFFAOYSA-N
Boiling Point:	307.9 °C at 760 mmHg
Density:	1.08 g/cm³
MDL:	MFCD03001709
LogP:	1.70488

Publication Number	Title	Priority Date
CN-111808007-A	Preparation method of chiral 3-substituted pyrrolidine derivative	20200623
US-2021106588-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
WO-2021076602-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
WO-2020240586-A1	Novel compounds for inhibition of janus kinase 1	20190528
WO-2020243027-A1	Compounds, compositions, and methods of use	20190524

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Related Functional Groups

Pyrrolidines

[18471-41-5]
3-Amino-1-phenylpyrrolidine
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol
[1319738-39-0]
(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
[60298-18-2]
Ethyl 5-oxopyrrolidine-3-carboxylate
[198959-37-4]
Methyl pyrrolidine-3-carboxylate hydrochloride

GHS Hazard Statement:	H301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.121177757
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.121177757
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1