trans-3-Indoleacrylic acid

CAS NO.：29953-71-7
Empirical Formula: C11H9NO2
Molecular Weight: 187.19
MDL number: MFCD00005633
EINECS: 621-733-8
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-19 23:02:33

What is trans-3-Indoleacrylic acid?

Chemical properties

LIGHT BROWN CRYSTALLINE POWDER

The Uses of trans-3-Indoleacrylic acid

trans-3-Indoleacrylic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals.

What are the applications of Application

trans-3-Indoleacrylic acid is a tryptophan metabolite

Definition

ChEBI: trans-3-Indoleacrylic acid is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-3-yl group. It is an alpha,beta-unsaturated monocarboxylic acid and a member of indoles. It derives from an acrylic acid. It is a conjugate acid of an (E)-3-(indol-3-yl)acrylate(1-).

What are the applications of Application

trans-3-Indoleacrylic acid is a metabolite of tryptophan.
Chromophoric L-Trp analog used to probe the allosteric properties of the internal aldimine of tryptophan synthase. Also shown to be a moderate inhibitor of tryptophan synthase, trypothan-2,3-dioxygenase (TDO), indoleamine-2,3-dioxygenase (IDO), L-dopachrome isomerase and xanthine oxidase.
Reagent used as a matrix for MALDI-TOF mass spectroscopy in order to characterize and analyze polyphenols and synthetic polymers.

Properties of trans-3-Indoleacrylic acid

Melting point:	185 °C (dec.)(lit.)
Boiling point:	321.94°C (rough estimate)
Density	1.1963 (rough estimate)
refractive index	1.4900 (estimate)
storage temp.	2-8°C
solubility	DMSO (Slightly), Methanol (Slightly)
form	powder
pka	4.59±0.10(Predicted)
color	white to light yellow
Water Solubility	freely soluble
BRN	6317
Stability:	Stable under recommended storage conditions., Stable Under Recommended Storage C
InChI	InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
CAS DataBase Reference	29953-71-7(CAS DataBase Reference)

Safety information for trans-3-Indoleacrylic acid

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.