2-Bromo-4-methoxypyrimidine - CAS 944709-74-4

Catalog:	BB041335
Product Name:	2-Bromo-4-methoxypyrimidine
CAS:	944709-74-4
Synonyms:	2-bromo-4-methoxypyrimidine; 2-bromo-4-methoxypyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-4-methoxypyrimidine
Description:	2-Bromo-4-methoxypyrimidine (CAS# 944709-74-4) is a chemical reagent used in the synthesis of oxopiperidine derivatives as anti-migrane agents. As well as in the preparation of organic electroluminescent devices.
Molecular Weight:	189.01
Molecular Formula:	C5H5BrN2O
Canonical SMILES:	COC1=NC(=NC=C1)Br
InChI:	InChI=1S/C5H5BrN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChI Key:	OHOBULDCIMBMDH-UHFFFAOYSA-N
Boiling Point:	293.7 °C at 760 mmHg
Density:	1.628 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD09702031
LogP:	1.24770

Publication Number	Title	Priority Date
WO-2021099527-A1	Pyrrolidine derivatives	20191122
WO-2019178191-A1	O-glycoprotein-2-acetamido-2-deoxy-3-d-glycopyranosidase inhibitors	20180314
AU-2019234759-A1	O-glycoprotein-2-acetamido-2-deoxy-3-D-glycopyranosidase inhibitors	20180314
CN-112218863-A	O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranosidase inhibitors	20180314
EP-3765458-A1	O-glycoprotein-2-acetamido-2-deoxy-3-d-glycopyranosidase inhibitors	20180314

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	91
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.95853
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.95853
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5