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Indol-3-carbinol 700-06-1

Indole-3-carbinol (abbreviated as I3C) is an organic compound with the molecular formula C9H9NO. It is a metabolite of sulforaphane (a glucosinolate) and acts as a tissue protein deacetylase inhibitor. Indole-3-carbaldehyde was synthesized from indole, phosphorus oxychloride, and N,N-dimethylformamide via the Vilsmeier-Haack reaction, yielding a 87.1% yield; Subsequently, using a toluene-water reaction system with potassium borohydride as the reducing agent, indole-3-methanol was obtained by reduction at 50–60°C. Under these mild reaction conditions, the reaction, extraction, and recrystallization were completed in a single step, yielding a product of 69.0%.


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Model:
700-06-1
Brand:
bosschemical
Code:
700-06-1

Product Description

Indole-3-carbinol Basic information
Product Name:	Indole-3-carbinol
CAS:	700-06-1
MF:	C9H9NO
MW:	147.17
EINECS:	211-836-2
Mol File:	700-06-1.mol
Indole-3-carbinol Chemical Properties
Melting point	96-99 °C (lit.)
Boiling point	267.28°C (rough estimate)
density	1.1135 (rough estimate)
refractive index	1.5670 (estimate)
storage temp.	2-8°C
solubility	soluble in Methanol
form	Crystalline Powder or Flakes
pka	15.10±0.10(Predicted)
color	Off-white to yellow-orange
BRN	121323
Stability:	2-80C
InChI	InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
InChIKey	IVYPNXXAYMYVSP-UHFFFAOYSA-N
SMILES	N1C2=C(C=CC=C2)C(CO)=C1
LogP	1.366 (est)
CAS DataBase Reference	700-06-1(CAS DataBase Reference)