ChemicalBook--->CAS DataBase List--->1628047-84-6

1628047-84-6

1628047-84-6 Structure

1628047-84-6 Structure
IdentificationBack Directory
[Name]

tert-butyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-bromobenzoate
[CAS]

1628047-84-6
[Synonyms]

2575SM2
ABT199 intermediate 2
tert-butyl 4-bromo-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzoate
tert-butyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-bromobenzoate
2-Methyl-2-propanyl 4-bromo-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
4-Bromo-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid 1,1-dimethylethyl ester
Benzoic acid, 4-bromo-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, 1,1-dimethylethyl ester
[EINECS(EC#)]

942-459-8
[Molecular Formula]

C18H17BrN2O3
[MDL Number]

MFCD28334265
[MOL File]

1628047-84-6.mol
[Molecular Weight]

389.24
Chemical PropertiesBack Directory
[Melting point ]

188 - 190°C
[density ]

1.445±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

13.26±0.40(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C18H17BrN2O3/c1-18(2,3)24-17(22)14-5-4-12(19)9-15(14)23-13-8-11-6-7-20-16(11)21-10-13/h4-10H,1-3H3,(H,20,21)
[InChIKey]

QTUZSJSEZUZNAS-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)C1=CC=C(Br)C=C1OC1=CN=C2NC=CC2=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

tert-?Butyl 4-?Bromo-?2-?(1H-?pyrrolo[2,?3-?b]?pyridin-?5-?yloxy)benzoate is used in the synthesis of apoptosis-inducing agents. Intermediate of Venetoclax (A112430), a potent and selective BCL-2 inhibitor that achieves potent antitumour activity while sparing platelets.
Spectrum DetailBack Directory
[Spectrum Detail]

tert-butyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-bromobenzoate(1628047-84-6)1HNMR
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