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HomeProduct name listtrans-4-Dimethylaminocrotonic acid hydrochloride

trans-4-Dimethylaminocrotonic acid hydrochloride

  • CAS NO.:848133-35-7
  • Empirical Formula: C6H12ClNO2
  • Molecular Weight: 165.62
  • MDL number: MFCD03695466
  • EINECS: 617-631-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-05-16 17:35:26
trans-4-Dimethylaminocrotonic acid hydrochloride Structural

What is trans-4-Dimethylaminocrotonic acid hydrochloride?

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

The Uses of trans-4-Dimethylaminocrotonic acid hydrochloride

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

What are the applications of Application

trans 4-Dimethylaminocrotonic acid hydrochloride is a precursor to 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

Properties of trans-4-Dimethylaminocrotonic acid hydrochloride

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+;
CAS DataBase Reference 848133-35-7(CAS DataBase Reference)

Safety information for trans-4-Dimethylaminocrotonic acid hydrochloride

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for trans-4-Dimethylaminocrotonic acid hydrochloride

InChIKey UUHNQHFOIVLAQX-BJILWQEISA-N
SMILES C(/CN(C)C)=C\C(=O)O.Cl

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