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1256584-75-4

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1256584-75-4 Structure

1256584-75-4 Structure
IdentificationBack Directory
[Name]

tert-butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate
[CAS]

1256584-75-4
[Synonyms]

Alectinib Impurity 6
Alectinib intermediate B
Alectinib intermediate II
6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate
tert-butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate
tert-butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate-10
2-Methyl-2-propanyl 6-cyano-2-[2-(4-ethyl-3-iodophenyl)-2-propany l]-1H-indole-3-carboxylate
TERT-BUTYL 6-CYANO-2- (2-(4-ETHYL-3-IODOPHENYL)PROPAN-2-YL) -1H-INDOLE-3-CARBOXYLATE _ 1256584-75-4
6-Cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-1H-indole-3-carboxylic acid 1,1-dimethylethyl ester
1H-Indole-3-carboxylic acid, 6-cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-, 1,1-dimethylethyl ester
tert-butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate/tert-butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate
[Molecular Formula]

C25H27IN2O2
[MDL Number]

MFCD22571223
[MOL File]

1256584-75-4.mol
[Molecular Weight]

514.399
Chemical PropertiesBack Directory
[Boiling point ]

609.3±55.0 °C(Predicted)
[density ]

1.43±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[pka]

14.00±0.30(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C25H27IN2O2/c1-7-16-9-10-17(13-19(16)26)25(5,6)22-21(23(29)30-24(2,3)4)18-11-8-15(14-27)12-20(18)28-22/h8-13,28H,7H2,1-6H3
[InChIKey]

QJJFMODIDDQXRV-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC(C#N)=C2)C(C(OC(C)(C)C)=O)=C1C(C1=CC=C(CC)C(I)=C1)(C)C
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 6-?Cyano-?2-?(2-?(4-?ethyl-?3-?iodophenyl)?propan-?2-?yl)?-?1H-?indole-?3-?carboxylate is an intermediate of Alectinib (C183360), a highly selective and potent anaplastic lymphoma kinase (ALK) inhibitor capable of blocking the resistant gatekeeper mutant, which results in reduced cell growth.
Spectrum DetailBack Directory
[Spectrum Detail]

tert-butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate(1256584-75-4)1HNMR
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