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

Base Information

• Chemical Name: 2-Chloro-1-(1-methyl-1H-indol-3-yl)-ethanone
• CAS No.: 17716-91-5
• Molecular Formula: C11H10ClNO
• Molecular Weight: 207.659
• Hs Code.: 2933990090
• European Community (EC) Number: 871-237-2
• ChEMBL ID: CHEMBL1544997
• Mol file: 17716-91-5.mol

Synonyms:17716-91-5;2-Chloro-1-(1-methyl-1H-indol-3-yl)-ethanone;2-chloro-1-(1-methyl-1H-indol-3-yl)ethanone;2-chloro-1-(1-methylindol-3-yl)ethanone;MLS000718596;2-chloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one;SMR000290864;cid_934321;CHEMBL1544997;BDBM46575;HMS2681D14;KUC104462N;KSC-1-230;MFCD03848177;STK279008;AKOS000100093;2-chloro-1-(1-methyl-3-indolyl)ethanone;2-chloranyl-1-(1-methylindol-3-yl)ethanone;BB 0217193;CS-0309251;EN300-1709160;10T-0345;Z381354466

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

Chemical Property:

• PSA: 22.00000
• LogP: 2.59980
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• 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-(1-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: CN1C=C(C2=CC=CC=C21)C(=O)CCl

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

There total 5 articles about 2-Chloro-1-(1-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: 53.0%

1-methylindole (603-76-9) + chloroacetonitrile (107-14-2) → 2-chloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one (17716-91-5)

Guidance literature:

chloroacetonitrile; With phenylborondichloride; In dichloromethane; at 20 ℃; for 0.25h; Inert atmosphere;

1-methylindole; In dichloromethane; for 1h; Inert atmosphere;

With water; sodium carbonate; Inert atmosphere;

DOI:10.1248/cpb.c15-00157

Reference yield:

1-methylindole (603-76-9) + oxalyl dichloride (79-37-8) → 2-chloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one (17716-91-5)

Guidance literature:

Reference yield:

N-Methyl-2-benzylindole (157427-47-9) + chloroacetonitrile (107-14-2) → 2-chloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one (17716-91-5)

Guidance literature:

With hydrogenchloride; diethyl ether; Erwaermen des Reaktionsprodukts mit wss. Ammoniak_.;

DOI:10.1002/hlca.19490320408

upstream raw materials:

1-methylindole

2-Chloro-N,N-diethylacetamide

N-Methyl-2-benzylindole

chloroacetonitrile

Downstream raw materials:

3-(1-(benzenesulfonyl)-3-pyrollyl)-4-(1-methyl-3-indolyl)furan-2,5-dione

3-(1-methyl-3-indolyl)-4-phenyl-1H-pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-(3-nitrophenyl)furan-2,5-dione

4-(1-methyl-3-indolyl)-1,3-thiazol-2-amine

Refernces

• 1、 -. "3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA". . . Retrieved 2008/06/13.