2-(Boc-amino)furan - CAS 56267-47-1

Catalog:	BB029311
Product Name:	2-(Boc-amino)furan
CAS:	56267-47-1
Synonyms:	N-(2-furanyl)carbamic acid tert-butyl ester; tert-butyl N-(furan-2-yl)carbamate

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Computed Properties

IUPAC Name:	tert-butyl N-(furan-2-yl)carbamate
Description:	2-(Boc-amino)furan (CAS# 56267-47-1) is a useful research chemical compound.
Molecular Weight:	183.20
Molecular Formula:	C9H13NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CC=CO1
InChI:	InChI=1S/C9H13NO3/c1-9(2,3)13-8(11)10-7-5-4-6-12-7/h4-6H,1-3H3,(H,10,11)
InChI Key:	QUPYDDORIVFDHP-UHFFFAOYSA-N
Boiling Point:	205.3 °C at 760 mmHg
Density:	1.136 g/cm³
MDL:	MFCD02682023
LogP:	2.69960

Publication Number	Title	Priority Date
US-10662378-B2	Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device	20170313
US-2020032143-A1	Compound having dibenzofuran ring, liquid crystal composition, and liquid crystal display element	20170227
EP-3315583-A1	Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device	20161027
US-10323187-B2	Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device	20161027
US-2018119009-A1	Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device	20161027

PMID	Publication Date	Title	Journal
16599620	20060414	Rhodium(I)-catalyzed nucleophilic ring-opening reactions of oxabicyclo adducts derived from the [4 + 2]-cycloaddition of 2-imido-substituted furans	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.08954328
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.08954328
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9