6-Bromopurine - CAS 767-69-1

Catalog:	BB035693
Product Name:	6-Bromopurine
CAS:	767-69-1
Synonyms:	6-bromo-7H-purine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	6-bromo-7H-purine
Description:	6-Bromopurine (CAS# 767-69-1) is a brominated derivative of purine used in various organic syntheses. Used in the synthesis of several benzo-fused scaffolds with purine or pyrimidine moietes which display antitumor and anticancer properties.
Molecular Weight:	199.01
Molecular Formula:	C5H3BrN4
Canonical SMILES:	C1=NC2=C(N1)C(=NC=N2)Br
InChI:	InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChI Key:	CTGFGRDVWBZYNB-UHFFFAOYSA-N
Boiling Point:	472.8 °C at 760 mmHg
Melting Point:	>300 °C
Purity:	95 %
Density:	2.036 g/cm³
MDL:	MFCD00022648
LogP:	1.11540

Publication Number	Title	Priority Date
JP-2021070665-A	Cyclopentene derivative and method for producing cyclopentene derivative	20191101
CN-110590781-B	Method for synthesizing chiral five-membered carbocyclic purine nucleoside by asymmetric allylamine reaction	20191014
CN-108409740-B	Preparation method of Aidallas	20180314
WO-2019092253-A1	Process for preparing idelalisib	20171110
US-2020095249-A1	Process for the preparation of amorphous idelalisib	20170424

PMID	Publication Date	Title	Journal
17559269	20070706	Palladium-catalyzed synthesis of nucleoside adducts from bay- and fjord-region diol epoxides	The Journal of organic chemistry
12482230	20021201	Efficient synthesis of the benzo[a]pyrene metabolic adducts of 2'-deoxyguanosine and 2'-deoxyadenosine and their direct incorporation into DNA	Chemical research in toxicology
11735542	20011214	6-bromopurine nucleosides as reagents for nucleoside analogue synthesis	The Journal of organic chemistry

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Related Functional Groups

Purines

[309947-91-9]
2-(tert-Butoxycarbonylamino)-9H-purine-6(1H)-one
[700-49-2]
2-Fluoroadenine
[873436-89-6]
8-[(6-Iodobenzo[d][1,3]dioxol-5-yl)thio]-9H-purin-6-amine
[19530-88-2]
2-amino-7-ethyl-3H-purin-6-one
[7280-81-1]
3-Benzyladenine
[6055-72-7]
Adenine Hydrochloride Hemihydrate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.95411
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.95411
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3