1-Methylpyrrole-2-carbonyl chloride

Base Information

• Chemical Name: 1-Methylpyrrole-2-carbonyl chloride
• CAS No.: 26214-68-6
• Molecular Formula: C6H6ClNO
• Molecular Weight: 143.573
• Hs Code.: 2933990090
• European Community (EC) Number: 640-804-4
• DSSTox Substance ID: DTXSID40383541
• Nikkaji Number: J1.490.554E
• Wikidata: Q72497059
• Mol file: 26214-68-6.mol

Synonyms:26214-68-6;1-methylpyrrole-2-carbonyl chloride;1-methyl-1H-pyrrole-2-carbonyl chloride;1H-Pyrrole-2-carbonyl chloride, 1-methyl-;1-methylpyrrole-2-carbonylchloride;1-Methyl-1H-pyrrole-2-carboxylic acid chloride;2-(Chlorocarbonyl)-1-methyl-1H-pyrrole;1-methyl-2-pyrroyl chloride;N-methyl-2-pyrroloyl chloride;SCHEMBL194181;N-methylpyrrolecarbonyl chloride;N-methylpyrrole carbonyl chloride;DTXSID40383541;JOYDZQJINHJNPM-UHFFFAOYSA-N;1-methylpyrrole-2-carboyl chloride;MFCD02094021;AKOS006230187;1-methylpyrrol-2-carboxylic acid chloride;AS-65245;N-methylpyrrol-2-carboxylic acid chloride;FT-0608095;E74234;J-504903

Chemical Property of 1-Methylpyrrole-2-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.231mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 206.976 °C at 760 mmHg
• PKA: -8.74±0.70(Predicted)
• Flash Point: 78.977 °C
• PSA: 22.00000
• Density: 1.229 g/cm³
• LogP: 1.40410
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 143.0137915
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-1H-pyrrole-2-carbonyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 36/37/38-34-29-14
• Safety Statements: 26-36/37/39-8-45-30-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC=C1C(=O)Cl
• Uses: It is applied in the preparation of 5-(Pyrrolylcarbonyl)- and 5-(Imidazolylcarbonyl)pyrimidines and use also in the novel fluorescent, minor groove and sequence specific recognition element: design, synthesis, and DNA binding properties of p-Anisylbenzimidazole-imidazole/pyrrole-containing polyamides.

Technology Process of 1-Methylpyrrole-2-carbonyl chloride

There total 9 articles about 1-Methylpyrrole-2-carbonyl chloride 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: 96.0%

1-Methyl-2-pyrrolecarboxylic acid (6973-60-0) → 1-methyl-pyrrole-2-carboxylic acid chloride (26214-68-6)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; toluene; for 1h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201103597

Reference yield:

1-Methyl-2-pyrrolecarboxylic acid (6973-60-0) + N-cyclohexyl-cyclohexanamine (101-83-7) → 1-methyl-pyrrole-2-carboxylic acid chloride (26214-68-6)

Guidance literature:

With thionyl chloride; In dichloromethane;

Reference yield:

sodium 1-methylpyrrole-2-carboxylate → 1-methyl-pyrrole-2-carboxylic acid chloride (26214-68-6)

Guidance literature:

With oxalyl dichloride; In toluene; at 50 ℃; for 1h;

upstream raw materials:

1-Methyl-2-pyrrolecarboxylic acid

N-Methylpyrrole

1-methyl-2-trichloroacetyl-1H-pyrrole

N-cyclohexyl-cyclohexanamine

Downstream raw materials:

2-furan-2-yl-1-(1-methyl-pyrrol-2-yl)-2-(triphenyl-λ⁵-phosphanylidene)-ethanone

1-(1-methyl-pyrrol-2-yl)-2-thiophen-2-yl-2-(triphenyl-λ⁵-phosphanylidene)-ethanone

ethyl 1-methyl-1H-pyrrole-2-carboxylate

phenyl 1-methyl-1H-pyrrole-2-carboxylate