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

Base Information

• Chemical Name: 2-chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone
• CAS No.: 126624-55-3
• Molecular Formula: C₇H₈ClNO
• Molecular Weight: 157.6
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70368861
• Nikkaji Number: J282.641K
• Wikidata: Q82155720
• Mol file: 126624-55-3.mol

Synonyms:126624-55-3;2-chloro-1-(1-methyl-1H-pyrrol-3-yl)ethanone;2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)-ethanone;2-chloro-1-(1-methylpyrrol-3-yl)ethanone;2-Chloro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one;Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-3-yl)-;SCHEMBL4502421;DTXSID70368861;Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-3-yl)- (9CI);MFCD06358037;AKOS000104335;3-(Chloroacetyl)-1-methyl-1H-pyrrole;SB62542;BB 0253612;CS-0307987;EN300-10370;A889395;J-516716;Z56347313

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

Chemical Property:

• Vapor Pressure: 0.0186mmHg at 25°C
• Boiling Point: 253.1°Cat760mmHg
• Flash Point: 106.9°C
• PSA: 22.00000
• Density: 1.18g/cm³
• LogP: 1.44660
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 157.0294416
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC(=C1)C(=O)CCl

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

There total 4 articles about 2-chloro-1-(1-methyl-1H-pyrrol-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: 75.0%

3-acetyl-1-methyl-1H-pyrrole (932-62-7) → 1-Methyl-3-chloroacetylpyrrole (126624-55-3)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In tetrahydrofuran; Ambient temperature;

Reference yield:

N-Methylpyrrole (96-54-8) + N-methyl-2-chloroacetanilide (2620-05-5) → 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)ethanone (23694-02-2) + 1-Methyl-3-chloroacetylpyrrole (126624-55-3)

Guidance literature:

With trichlorophosphate; Yield given. Multistep reaction. Yields of byproduct given; 1.) room temp., 6 h, 2.) 1,2-dichloroethane, room temp., 16 h;

DOI:10.1055/s-1989-27396

Reference yield:

N-Methylpyrrole (96-54-8) + 2-chloro-N,N-dimethylacetamide (2675-89-0) → 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)ethanone (23694-02-2) + 1-Methyl-3-chloroacetylpyrrole (126624-55-3)

Guidance literature:

With trichlorophosphate; Yield given. Multistep reaction. Yields of byproduct given; 1.) room temp., 6 h, 2.) 1,2-dichloroethane, room temp., 16 h;

DOI:10.1055/s-1989-27396

upstream raw materials:

N-Methylpyrrole

N-methyl-2-chloroacetanilide

2-chloro-N,N-dimethylacetamide

3-acetyl-1-methyl-1H-pyrrole

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