3-Ethyl-2,4-dimethyl-1H-pyrrole

Base Information

• Chemical Name: 3-Ethyl-2,4-dimethyl-1H-pyrrole
• CAS No.: 517-22-6
• Molecular Formula: C8H13N
• Molecular Weight: 123.198
• Hs Code.: 29339900
• European Community (EC) Number: 208-234-7
• NSC Number: 62025
• UNII: 339V6S6PPS
• DSSTox Substance ID: DTXSID20199647
• Nikkaji Number: J6.574I
• Wikidata: Q72468731
• Mol file: 517-22-6.mol

Synonyms:2,4-dimethyl-3-ethylpyrrole;kryptopyrrole

Chemical Property of 3-Ethyl-2,4-dimethyl-1H-pyrrole

Chemical Property:

• Appearance/Colour: clear yellow to red-brown liquid
• Vapor Pressure: 0.491mmHg at 25°C
• Melting Point: 63.75°C (estimate)
• Refractive Index: n20/D 1.496(lit.)
• Boiling Point: 199.1 °C at 760 mmHg
• PKA: 18.33±0.50(Predicted)
• Flash Point: 71.7 °C
• PSA: 15.79000
• Density: 0.925 g/cm³
• LogP: 2.19390
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Soluble), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 123.104799419
• Heavy Atom Count: 9
• Complexity: 90.6

Purity/Quality:

99.9% ^*data from raw suppliers

3-Ethyl-2,4-dimethyl-1H-pyrrole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(NC=C1C)C
• Uses: 3-Ethyl-2,4-dimethyl-1H-pyrrole is a important diagnostic compound for pyrrole disorder or pyroluria, an abnormality in biochemistry resulting in overproduction of pyrrole molecules and resulting in i mproper hemoglobin synthesis. 3-Ethyl-2,4-dimethyl-1H-pyrrole is a important diagnostic compound for pyrrole disorder or pyroluria, an abnormality in biochemistry resulting in overproduction of pyrrole molecules and resulting in improper hemoglobin synthesis. 3-Ethyl-2,4-dimethylpyrrole can be used as a substrate for the synthesis of: Boradiazaindacene (BODIPY dyes) units as a building block for the fabrication of energy transfer cassettes.Meso-benzyl and meso-alkyl dipyrrins salts by treating with corresponding acid chloride.2,5-Bis[3,5-dimethyl-4-ethylpyrrol-2-yl]cyclohexadiene-1,4-dione by reacting with 1,4-benzoquinone.

Technology Process of 3-Ethyl-2,4-dimethyl-1H-pyrrole

There total 25 articles about 3-Ethyl-2,4-dimethyl-1H-pyrrole 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%

ethyl 3,5-dimethyl-4-ethylpyrrole-2-carboxylate (2199-47-5) → 2,4-dimethyl-3-ethyl-pyrrole (517-22-6)

Guidance literature:

With sodium hydroxide; In ethylene glycol; for 1h; Heating;

DOI:10.1016/j.tet.2005.09.105

Reference yield: 82.0%

ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate (2386-26-7) → 2,4-dimethyl-3-ethyl-pyrrole (517-22-6)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In diethylene glycol; for 3h; Heating;

DOI:10.1055/s-1990-27094

Reference yield: 81.0%

2,4-dimethyl-3-acetylpyrrole (2386-25-6) → 2,4-dimethyl-3-ethyl-pyrrole (517-22-6)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1039/c001800g

upstream raw materials:

2,4-dimethyl-3-acetylpyrrole

sodium ethanolate

ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate

benzyl 4-ethyl-3,5-dimethylpyrrole-2-carboxylate

Downstream raw materials:

2,6-diethyl-4,4-difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indecene

3,5-dimethyl-2-[bis-(4-dimethylaminophenyl)methyl]-4-ethyl-1H-pyrrole

Refernces

• 1、 -. "SPIROBODIPYs with spiropyran structure compound, preparation method and its use". Paragraph 0020; 0057; 0060. . Retrieved 2016/11/02.
• 2、 Guseva,Antina,Beresin,V'Yugin,Nuraneeva. "Preparation, spectral and thermal properties of Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) complexes with iodosubstituted 2,2′-dipyrrolylmethene". . p. 1571 - 1579. Retrieved 2013/10/22.