N-Boc-pyrrole-2-carboxaldehyde - CAS 161282-57-1

Name: N-Boc-pyrrole-2-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011722
Product Name:	N-Boc-pyrrole-2-carboxaldehyde
CAS:	161282-57-1
Synonyms:	tert-butyl 2-formylpyrrole-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2-formylpyrrole-1-carboxylate
Description:	N-Boc-pyrrole-2-carboxaldehyde (CAS# 161282-57-1) is a useful research chemical.
Molecular Weight:	195.22
Molecular Formula:	C10H13NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1C=CC=C1C=O
InChI:	InChI=1S/C10H13NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h4-7H,1-3H3
InChI Key:	NSHLHMBABZKJHP-UHFFFAOYSA-N
Boiling Point:	292 °C
Density:	1.08 g/cm³
LogP:	2.08380

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112239468-A	Metal-free and solvent-free synthesis of fused pyridine heterocycles and biomedical applications thereof	20190719
US-2021070765-A1	Metal-free solvent-free synthesis of fused-pyrido heterocycles and biomedical applications	20190719
WO-2021014463-A1	Metal-free solvent-free synthesis of fused-pyrido heterocycles and biomedical applications	20190719
WO-2019175436-A1	Antiviral compounds and use thereof	20180316
EP-3765454-A1	Antiviral compounds and use thereof	20180316

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.08954328
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.08954328
Rotatable Bond Count:	3
Topological Polar Surface Area:	48.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7