| Identification | More | [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 Properties | Back 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) |
| Hazard Information | Back 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.
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