diethyl 2-(1H-pyrrol-1-yl)malonate

Base Information

• Chemical Name: diethyl 2-(1H-pyrrol-1-yl)malonate
• CAS No.: 67451-43-8
• Molecular Formula: C11H15NO4
• Molecular Weight: 225.244
• DSSTox Substance ID: DTXSID30381950
• Nikkaji Number: J2.855.630F
• Wikidata: Q82173167

Synonyms:diethyl 2-(1H-pyrrol-1-yl)malonate;67451-43-8;Diethyl pyrrol-1-ylmalonate;1,3-diethyl 2-(1H-pyrrol-1-yl)propanedioate;Diethyl 2-pyrrol-1-ylpropanedioate;SCHEMBL8906464;DTXSID30381950;DUAOPKFJIPCUNK-UHFFFAOYSA-N;2-(pyrrol-1-yl)malonic acid diethyl ester;2-(1H-Pyrrole-1-yl)malonic acid diethyl ester;(2E)-3-(4-ISOPROPOXY-3-METHOXYPHENYL)ACRYLICACID

Chemical Property of diethyl 2-(1H-pyrrol-1-yl)malonate

Chemical Property:

• Vapor Pressure: 0.00108mmHg at 25°C
• Boiling Point: 301.1oC at 760 mmHg
• Flash Point: 135.9oC
• PSA: 57.53000
• Density: 1.13g/cm3
• LogP: 1.15540
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 225.10010796
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

98%Min ^*data from raw suppliers

DIETHYL 2-(1H-PYRROL-1-YL)MALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)OCC)N1C=CC=C1

Technology Process of diethyl 2-(1H-pyrrol-1-yl)malonate

There total 3 articles about diethyl 2-(1H-pyrrol-1-yl)malonate 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: 77.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + diethyl aminomalonate hydrochloride (13433-00-6) → 2-(pyrrol-1-yl)malonic acid diethyl ester (67451-43-8)

Guidance literature:

With sodium acetate; In acetic acid;

DOI:10.1055/s-0035-1561620

Reference yield:

2,5-diethoxytetrahydrofurane (3320-90-9) + diethyl aminomalonate hydrochloride (13433-00-6) → 2-(pyrrol-1-yl)malonic acid diethyl ester (67451-43-8)

Guidance literature:

With sodium acetate; In acetic acid;

Reference yield:

→ 2-(pyrrol-1-yl)malonic acid diethyl ester (67451-43-8)

Guidance literature:

DOI:10.1021/jm00207a022

upstream raw materials:

2,5-diethoxytetrahydrofurane

diethyl aminomalonate hydrochloride

cis,trans-2,5-dimethoxytetrahydrofuran

Downstream raw materials:

2-(pyrrol-1-yl)malonic acid dibenzyl ester

AS-3201

2-(4-bromo-2-fluorobenzyl)-4-ethoxycarbonyl-1,3-dioxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-4-acetic acid tert-butyl ester

2-(4-bromo-2-fluorobenzyl)-4-ethoxycarbonyl-1,3-dioxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-4-acetic acid

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