2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone

Base Information

• Chemical Name: 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone
• CAS No.: 38693-08-2
• Molecular Formula: C11H10ClNO
• Molecular Weight: 207.659
• Hs Code.: 2933990090
• European Community (EC) Number: 851-636-8
• DSSTox Substance ID: DTXSID90352328
• Wikidata: Q82129400
• ChEMBL ID: CHEMBL1462375
• Mol file: 38693-08-2.mol

Synonyms:38693-08-2;2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone;2-Chloro-1-(2-methyl-1H-indol-3-yl)-ethanone;2-chloro-1-(2-methyl-1H-indol-3-yl)ethan-1-one;MLS000718557;SMR000290825;cid_723221;CHEMBL1462375;SCHEMBL22460145;BDBM46574;DTXSID90352328;HMS2700E10;MFCD00464024;STK103192;AKOS000111493;2-methyl-3-indolyl chloromethyl ketone;LS-02864;BB 0238481;EN300-01905;2-chloranyl-1-(2-methyl-1H-indol-3-yl)ethanone;SR-01000325063;2-chloro-1-(2-methyl-1H-indol-3-yl)-1-ethanone;SR-01000325063-1;BRD-K04847882-001-06-5;Z56846727;F0307-0329

Chemical Property of 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone

Chemical Property:

• Vapor Pressure: 4.38E-06mmHg at 25°C
• Refractive Index: 1.642
• Boiling Point: 383.5 °C at 760 mmHg
• Flash Point: 185.7 °C
• PSA: 32.86000
• Density: 1.289 g/cm³
• LogP: 2.89780
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 207.0450916
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

98%min ^*data from raw suppliers

2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)CCl

Technology Process of 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone

There total 7 articles about 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone 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: 83.0%

C15H23BN(1-)*K(1+) + chloroacetyl chloride (79-04-9) → 2-chloro-1-(2-methyl-1H-indol-3-yl)ethan-1-one (38693-08-2)

Guidance literature:

In tetrahydrofuran; hexane; at -15 ℃; for 24h;

DOI:10.1021/acs.orglett.6b01970

Reference yield: 79.7%

2-methyl-1H-indole (95-20-5) + chloroacetyl chloride (79-04-9) → 2-chloro-1-(2-methyl-1H-indol-3-yl)ethan-1-one (38693-08-2)

Guidance literature:

With 2,6-dimethylpyridine; In acetonitrile; at 20 - 35 ℃; for 1h;

Reference yield:

2-methyl-1H-indole (95-20-5) → 2-chloro-1-(2-methyl-1H-indol-3-yl)ethan-1-one (38693-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere

1.2: 0.5 h / Inert atmosphere

2.1: tetrahydrofuran; hexane / 24 h / -15 °C

In tetrahydrofuran; hexane;

DOI:10.1021/acs.orglett.6b01970

upstream raw materials:

2-methyl-1H-indole

chloroacetyl chloride

Downstream raw materials:

3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile

2-dimethylamino-1-(2-methyl-indol-3-yl)-ethanone

2-Methyl-3-hydroxyacetyl-indol

4-(2-methyl-1H-indol-3-yl)thiazol-2-amine

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