pyrimidine-5-carboxaldehyde - CAS 10070-92-5

Catalog:	BB000306
Product Name:	pyrimidine-5-carboxaldehyde
CAS:	10070-92-5
Synonyms:	5-pyrimidinecarboxaldehyde; pyrimidine-5-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	pyrimidine-5-carbaldehyde
Description:	pyrimidine-5-carboxaldehyde (CAS# 10070-92-5) is a compound useful in organic synthesis.
Molecular Weight:	108.10
Molecular Formula:	C5H4N2O
Canonical SMILES:	C1=C(C=NC=N1)C=O
InChI:	InChI=1S/C5H4N2O/c8-3-5-1-6-4-7-2-5/h1-4H
InChI Key:	FREJAOSUHFGDBW-UHFFFAOYSA-N
Boiling Point:	225.3 °C at 760 mmHg
Purity:	97.0 %
Density:	1.234 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD03426065
LogP:	0.28910

Publication Number	Title	Priority Date
CN-113292557-A	Pyridopyrimidinone mesoion derivative containing indole unit and preparation method and application thereof	20210531
CN-113336750-A	Dithioacetal-containing pyridopyrimidone derivative and preparation and application thereof	20210531
CN-113004209-A	Synthetic method of rosuvastatin calcium intermediate	20210308
WO-2021212039-A1	Inhibitors of cysteine proteases and methods of use thereof	20200417
CN-111454247-A	Preparation method of N-2-pyridine-5-pyrimidine methylamine	20200414

PMID	Publication Date	Title	Journal
21761523	20110822	Asymmetric autocatalysis: triggered by chiral isotopomer arising from oxygen isotope substitution	Angewandte Chemie (International ed. in English)
21678535	20110718	Enantioselective C-C bond formation as a result of the oriented prochirality of an achiral aldehyde at the single-crystal face upon treatment with a dialkyl zinc vapor	Angewandte Chemie (International ed. in English)
19911300	20100201	Asymmetric autocatalysis induced by chiral crystals of achiral tetraphenylethylenes	Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life
19753377	20091007	Discrimination of cryptochirality in chiral isotactic polystyrene by asymmetric autocatalysis	Chemical communications (Cambridge, England)
19597604	20090807	Asymmetric autocatalysis induced by meteoritic amino acids with hydrogen isotope chirality	Chemical communications (Cambridge, England)

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Related Functional Groups

Carbonyl Compounds

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[1427004-19-0]
DBCO-PEG4-NHS ester
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

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GHS Hazard Statement:	H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	78.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.032362755
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.032362755
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3