Ethyl 4-Chloro-5-pyrimidinecarboxylate - CAS 41103-17-7

Name: Ethyl 4-Chloro-5-pyrimidinecarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024780
Product Name:	Ethyl 4-Chloro-5-pyrimidinecarboxylate
CAS:	41103-17-7
Synonyms:	4-chloro-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4-chloropyrimidine-5-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 4-chloropyrimidine-5-carboxylate
Description:	Ethyl 4-Chloro-5-pyrimidinecarboxylate (CAS# 41103-17-7) is a reagent used in the synthesis of a series of novel orally active non-peptide angiotensin II antagonists.
Molecular Weight:	186.60
Molecular Formula:	C7H7ClN2O2
Canonical SMILES:	CCOC(=O)C1=CN=CN=C1Cl
InChI:	InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-9-4-10-6(5)8/h3-4H,2H2,1H3
InChI Key:	AZJAMMCCAZZXIK-UHFFFAOYSA-N
Boiling Point:	278.198 °C at 760 mmHg
Density:	1.312 g/cm³
MDL:	MFCD07371659
LogP:	1.30670

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-2021050161-A	Heterocyclic compounds and their uses	20190925
WO-2021059017-A1	Heterocyclic compound and use thereof	20190925
AU-2018339068-A1	Combination pharmaceutical agents as RSV inhibitors	20170929
CA-3077309-A1	Combination pharmaceutical agents as rsv inhibitors	20170929
TW-201919640-A	Combination agent as an RSV inhibitor	20170929

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0196052
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.0196052
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4