ChemicalBook--->CAS DataBase List--->848133-35-7

848133-35-7

848133-35-7 Structure

848133-35-7 Structure
IdentificationMore
[Name]

trans-4-Dimethylaminocrotonic acid hydrochloride
[CAS]

848133-35-7
[Synonyms]

(e)-4-(dimethylamino)-2-butenoic acid hydrochloride
trans-4-Dimethylaminocrotonic acid hydrochloride
TRANS-4-DIMETHYLAMINOCROTONIC ACID HCL
2-BUTENOIC ACID, 4-(DIMETHYLAMINO)-, HYDROCHLORIDE
[EINECS(EC#)]

617-631-8
[Molecular Formula]

C6H12ClNO2
[MDL Number]

MFCD03695466
[Molecular Weight]

165.62
[MOL File]

848133-35-7.mol
Chemical PropertiesBack Directory
[Melting point ]

162 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[InChI]

InChI=1S/C6H11NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-4H,5H2,1-2H3,(H,8,9);1H/b4-3+;
[InChIKey]

UUHNQHFOIVLAQX-BJILWQEISA-N
[SMILES]

C(/CN(C)C)=C\C(=O)O.Cl
[CAS DataBase Reference]

848133-35-7(CAS DataBase Reference)
Safety DataBack Directory
[HS Code ]

2922498590
Hazard InformationBack Directory
[Description]

trans-4-Dimethylaminocrotonic acid hydrochloride is a very important pharmaceutical intermediate and is an essential part of the structure of the anti-tumour drugs afatinib and neratinib. It is also an important organic synthesis reagent for the preparation of novel pyrazole derivatives and 6-heterocycloalkyl quinazoline derivatives.
[Chemical Properties]

White Solid
[Uses]

trans 4-Dimethylaminocrotonic acid HCl is a reagent used in the preparation of tyrosine kinase inhibiting antitumor agents.
[Synthesis]

trans-4-Dimethylaminocrotonic acid hydrochloride is synthesised using (E)-4-(dimethylamino)-2-butenoic acid methyl ester as a raw material by adding reagents such as water, sodium hydroxide, methanol, and hydrogen chloride through a chemical reaction.
trans-4-Dimethylaminocrotonic acid hydrochloride synthesis
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