2-[4-(Methoxycarbonyl)-5-Methyl-2-Oxo-2,3-Dihydro-1H-Pyrrol-3-Yl]Acetic Acid

Base Information

• Chemical Name: 2-[4-(Methoxycarbonyl)-5-Methyl-2-Oxo-2,3-Dihydro-1H-Pyrrol-3-Yl]Acetic Acid
• CAS No.: 77978-73-5
• Molecular Formula: C₉H₁₁NO₅
• Molecular Weight: 213.19
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00379324
• Mol file: 77978-73-5.mol

Synonyms:77978-73-5;2-[4-(Methoxycarbonyl)-5-Methyl-2-Oxo-2,3-Dihydro-1H-Pyrrol-3-Yl]Acetic Acid;2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid;2-(4-(Methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)acetic acid;(3-(Methoxycarbonyl)-2-methyl-5-oxo-2-pyrrolin-4-yl)acetic acid;Maybridge1_002247;Oprea1_168375;ETHYL3-PHENOXYPROPIONATE;SCHEMBL7820401;HMS547O03;DTXSID00379324;CCG-45551;MFCD00173859;AKOS022650976;MS-22022;CS-0249415;FT-0610878;EN300-43436;J-507657;SR-01000635306-1;Z440630210;2-[4-(Methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]acetic acid, AldrichCPR;2-[4-(Methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3yl]acetic acid

Chemical Property of 2-[4-(Methoxycarbonyl)-5-Methyl-2-Oxo-2,3-Dihydro-1H-Pyrrol-3-Yl]Acetic Acid

Chemical Property:

• Vapor Pressure: 1.27E-10mmHg at 25°C
• Melting Point: 160 °C
• Boiling Point: 482.2°C at 760 mmHg
• Flash Point: 245.4°C
• PSA: 92.70000
• Density: 1.329g/cm³
• LogP: -0.01710
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 213.06372245
• Heavy Atom Count: 15
• Complexity: 358

Purity/Quality:

99%, ^*data from raw suppliers

2-[4-(Methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=O)N1)CC(=O)O)C(=O)OC

Technology Process of 2-[4-(Methoxycarbonyl)-5-Methyl-2-Oxo-2,3-Dihydro-1H-Pyrrol-3-Yl]Acetic Acid

There total 1 articles about 2-[4-(Methoxycarbonyl)-5-Methyl-2-Oxo-2,3-Dihydro-1H-Pyrrol-3-Yl]Acetic Acid 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: 67.0%

maleic anhydride (108-31-6) + methyl 3-aminocrotonate (21731-17-9) → 4-Methoxycarbonyl-5-methyl-2-oxo-4-pyrrolin-3-essigsaeure (77978-73-5)

Guidance literature:

In diethyl ether; for 24h;

Reference yield: 72.0%

methanol (67-56-1) + 4-Methoxycarbonyl-5-methyl-2-oxo-4-pyrrolin-3-essigsaeure (77978-73-5) → 4-Methoxycarbonyl-5-methyl-2-oxo-4-pyrrolin-3-essigsaeure-methylester (77978-74-6)

Guidance literature:

With sulfuric acid; In benzene;

Reference yield:

4-Methoxycarbonyl-5-methyl-2-oxo-4-pyrrolin-3-essigsaeure (77978-73-5) → 4-Methoxycarbonyl-2-oxo-5-phenylhydrazonomethyl-4-pyrrolin-3-essigsaeure-methylester (77978-79-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 72 percent / conc. H₂SO₄ / benzene

2: 2.) Triethylamine / 1.)CH₂Cl₂, 1.5h, room temperature, then 1,5h heating, 2.) 30min, room teperature

3: SO₂Cl₂ / diethyl ether

4: ethanol

With sulfuryl dichloride; sulfuric acid; triethylamine; In diethyl ether; ethanol; benzene;

upstream raw materials:

maleic anhydride

methyl 3-aminocrotonate

Downstream raw materials:

4-Methoxycarbonyl-5-methyl-2-oxo-4-pyrrolin-3-essigsaeure-methylester

2-Chlor-1-(4-chlorbenzoyl)-4-methoxycarbonyl-5-methyl-3-pyrrolessigsaeure-tert-butylester

2-Chlor-4-methoxycarbonyl-5-methyl-3-pyrrolessigsaeure-methylester

2-Acetoxy-4-methoxycarbonyl-5-methyl-3-pyrrolessigsaeure-methylester

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