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1256584-73-2

1256584-73-2 Structure

1256584-73-2 Structure
IdentificationBack Directory
[Name]

2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid
[CAS]

1256584-73-2
[Synonyms]

Alecensa intermediate
Alectinib Impurity 14
Alectinib intermediate A
4-Ethyl-3-iodo-α,α-dimethylbenzeneacetic acid
2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid
2-(3-Iodo-4-ethylphenyl)-2-methylpropionic acid
Benzeneacetic acid, 4-ethyl-3-iodo-α,α-dimethyl-
2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid-7
4-?Ethyl-?3-?iodo-?α,?α-?dimethylbenzeneaceti?c acid
4-Ethyl-3-iodo-alpha,alpha-dimethylbenzeneacetic acid
2-(4-ethyl-3-iodophenyl)-2-methylpropanoic acid (alectinib intermediate)
[Molecular Formula]

C12H15IO2
[MDL Number]

MFCD22571222
[MOL File]

1256584-73-2.mol
[Molecular Weight]

318.151
Chemical PropertiesBack Directory
[Boiling point ]

369.6±27.0 °C(Predicted)
[density ]

1.547±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, protect from light
[pka]

4.32±0.11(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C12H15IO2/c1-4-8-5-6-9(7-10(8)13)12(2,3)11(14)15/h5-7H,4H2,1-3H3,(H,14,15)
[InChIKey]

RUVGXZCQYVEAKQ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(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-P280-P301+P312-P302+P352-P305+P351+P338
[REACH Registrations]

Active
Hazard InformationBack Directory
[Description]

2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid is a pharmaceutical intermediate compound used in the preparation of anti-tumour drugs such as alectinib, erlotinib and hydrochloric acid neritinib.
[Uses]

2-?(4-?Ethyl-?3-?iodophenyl)?-?2-?methylpropanoic Acid 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.
[Synthesis]

2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid is prepared by reacting 4-Ethyl-α,α-dimethylbenzeneacetic acid with N-Iodosuccinimide in Acetic acid for 2h.
2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid(1256584-73-2)1HNMR
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