3,4-Diethylpyrrole

Base Information

• Chemical Name: 3,4-Diethylpyrrole
• CAS No.: 16200-52-5
• Molecular Formula: C8H13N
• Molecular Weight: 123.198
• Hs Code.: 2933990090
• European Community (EC) Number: 687-405-1
• DSSTox Substance ID: DTXSID80447934
• Nikkaji Number: J83.312F
• Wikidata: Q72462174
• Mol file: 16200-52-5.mol

Synonyms:3,4-DIETHYLPYRROLE;16200-52-5;3,4-Diethyl-1H-pyrrole;3,4-Diethyl-pyrrol;MFCD08062571;3,4-diethyl pyrrole;SCHEMBL891271;DTXSID80447934;XMYRJQYUMXCUNX-UHFFFAOYSA-N;AMY32098;AKOS006285968;AB43391;AS-58347;CS-0313688;F10353;J-009883;tert-Butyl6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Chemical Property of 3,4-Diethylpyrrole

Chemical Property:

• Vapor Pressure: 1.039mmHg at 25°C
• Melting Point: 13℃
• Refractive Index: 1.508
• Boiling Point: 183.704 °C at 760 mmHg
• PKA: 17.60±0.50(Predicted)
• Flash Point: 66.425 °C
• PSA: 15.79000
• Density: 0.923 g/cm³
• LogP: 2.13950
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 123.104799419
• Heavy Atom Count: 9
• Complexity: 70.6

Purity/Quality:

99%, ^*data from raw suppliers

3,4-Diethylpyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CNC=C1CC
• Uses: 3,4-DIETHYLPYRROLE is a useful research chemical.

Technology Process of 3,4-Diethylpyrrole

There total 16 articles about 3,4-Diethylpyrrole 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%

methyl 3,4-diethylpyrrole-2-carboxylate (159427-97-1) → 3,4-diethyl-1H-pyrrole (16200-52-5)

Guidance literature:

With lithium chloride; In dimethyl sulfoxide; for 1.5h; Heating;

DOI:10.1021/jo00104a041

Reference yield: 100.0%

→ 3,4-diethyl-1H-pyrrole (16200-52-5)

Guidance literature:

Reference yield: 99.0%

(3,4-diethyl-1H-pyrrol-1-yl)(phenyl)methanone (82946-53-0) → 3,4-diethyl-1H-pyrrole (16200-52-5)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 20 ℃; for 0.333333h;

DOI:10.1021/jo070389+

upstream raw materials:

3,4-diethyl-pyrrole-2,5-dicarboxylic acid monoethyl ester

1-benzyloxycarbonyl-3,4-diethylpyrrole

(3,4-diethyl-1H-pyrrol-1-yl)(phenyl)methanone

methyl 3,4-diethylpyrrole-2-carboxylate

Downstream raw materials:

C₄₂H₅₁N₃O₄

2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin

3,4-diethyl-2-(2-methoxybenzoyl)pyrrole

3,4-diethylpyrrole-2-carbaldehyde

Refernces

• 1、 Shevchuk, Sergiy V.,Davis, Julian M.,Sessler, Jonathan L.. "Synthesis of sapphyrins via a '3+1+1' procedure". . p. 2447 - 2450. Retrieved 2001.
• 2、 Kancharla, Papireddy,Reynolds, Kevin A.. "Synthesis of 2,2′-bipyrrole-5-carboxaldehydes and their application in the synthesis of B-ring functionalized prodiginines and tambjamines". . p. 8375 - 8385. Retrieved 2013/09/02.
• 3、 Matsuo, Takashi,Hayashi, Akihiro,Abe, Masato,Matsuda, Takaaki,Hisaeda, Yoshio,Hayashi, Takashi. "Meso-unsubstituted iron corrole in hemoproteins: Remarkable differences in effects on peroxidase activities between myoglobin and horseradish peroxidase". supporting information; experimental part. p. 15124 - 15125. Retrieved 2010/01/30.