6-Chloroindole

Base Information

• Chemical Name: 6-Chloroindole
• CAS No.: 17422-33-2
• Molecular Formula: C8H6ClN
• Molecular Weight: 151.595
• Hs Code.: 29339990
• European Community (EC) Number: 241-449-4
• NSC Number: 58083
• UNII: M4E7MR63DA
• DSSTox Substance ID: DTXSID70169794
• Nikkaji Number: J236.659B
• Wikidata: Q27151419
• ChEMBL ID: CHEMBL511085
• Mol file: 17422-33-2.mol

Synonyms:6-chloroindole

Chemical Property of 6-Chloroindole

Chemical Property:

• Appearance/Colour: light orange powder
• Vapor Pressure: 0.00309mmHg at 25°C
• Melting Point: 87-90 °C(lit.)
• Refractive Index: 1.688
• Boiling Point: 293 °C at 760 mmHg
• PKA: 16.10±0.30(Predicted)
• Flash Point: 158.9 °C
• PSA: 15.79000
• Density: 1.331 g/cm³
• LogP: 2.82130
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: slightly soluble
• Water Solubility.: slightly soluble
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 151.0188769
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

6-Chloroindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CN2)Cl
• Uses: 6-Chloroindole (cas# 17422-33-2) is a compound useful in organic synthesis.

Technology Process of 6-Chloroindole

There total 43 articles about 6-Chloroindole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

6-chloroindoline (52537-00-5) → 6-chloroindole (17422-33-2)

Guidance literature:

tris(triphenylphosphine)ruthenium(II) chloride; In toluene; for 6h; Rate constant; Mechanism; Heating;

DOI:10.1021/jo00289a036

Reference yield: 99.0%

6-chloro-1H-indole-3-carboxylic acid (766557-02-2) → 6-chloroindole (17422-33-2)

Guidance literature:

With potassium carbonate; In ethanol; at 140 ℃; Schlenk technique;

DOI:10.1080/00397911.2019.1703137

Reference yield: 96.0%

benzyl 6-chloro-1H-indole-1-carboxylate → 6-chloroindole (17422-33-2)

Guidance literature:

With dimethylamine borane; potassium carbonate; triphenylphosphine; bis(triphenylphosphine)nickel(II) chloride; In acetonitrile; at 40 ℃; for 24h;

DOI:10.1021/ol016693l

upstream raw materials:

6-chloro-1H-indole-2-carboxylic acid

6-chloro-1H-indole-3-carboxylic acid

6-chloroindoline

tris(piperidino)-methane

Downstream raw materials:

6-chloroindole-3-acetic acid

6-Chloro-3-(1,2,3,6-Tetrahydro-4-pyridinyl)-1H-indole

(R)-2-Benzyloxycarbonylamino-3-(6-chloro-1H-indol-3-yl)-propionic acid benzyl ester

6-chloro-1-methyl-1H-indole

Refernces

• 1、 -. "Method for catalytically synthesizing indole derivative by using ferrous complex". Paragraph 0057-0060. . Retrieved 2021/07/31.
• 2、 Chen, Xia,Zhou, Xiao-Yu. "Decarboxylation of indole-3-carboxylic acids under metal-free conditions". supporting information. p. 805 - 812. Retrieved 2020/02/20.