3-[5-(4-Methoxy-phenyl)-1H-pyrrol-2-yl]-propionic acid

Base Information

• Chemical Name: 3-[5-(4-Methoxy-phenyl)-1H-pyrrol-2-yl]-propionic acid
• CAS No.: 431987-06-3
• Molecular Formula: C₁₄H₁₅NO₃
• Molecular Weight: 245.278
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90350768
• Wikidata: Q82126870
• Mol file: 431987-06-3.mol

Synonyms:431987-06-3;3-[5-(4-Methoxy-phenyl)-1H-pyrrol-2-yl]-propionic acid;3-(5-(4-Methoxyphenyl)-1H-pyrrol-2-yl)propanoic acid;3-[5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid;Cambridge id 6787495;Oprea1_238281;Oprea1_844840;3-(5-(4-Methoxyphenyl)-1H-pyrrol-2-yl)propanoicacid;SCHEMBL14865032;DTXSID90350768;TWZMVQARIIRSDZ-UHFFFAOYSA-N;HMS1682G15;STK002402;AKOS000300308;SB62826;CS-0323191;Propionic acid, 3-[5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-;3-[5-(4-METHOXY-PHENYL)-1H-PYRROL-2-YL]-PROPIONICACID

Chemical Property of 3-[5-(4-Methoxy-phenyl)-1H-pyrrol-2-yl]-propionic acid

Chemical Property:

• Vapor Pressure: 3.34E-09mmHg at 25°C
• Boiling Point: 458.5°Cat760mmHg
• Flash Point: 231.1°C
• PSA: 62.32000
• Density: g/cm³
• LogP: 2.70750
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 245.10519334
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

98%min ^*data from raw suppliers

3-(5-(4-Methoxyphenyl)-1H-pyrrol-2-yl)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC=C(N2)CCC(=O)O

Technology Process of 3-[5-(4-Methoxy-phenyl)-1H-pyrrol-2-yl]-propionic acid

There total 1 articles about 3-[5-(4-Methoxy-phenyl)-1H-pyrrol-2-yl]-propionic 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:

7-(4-methoxy-phenyl)-4,7-dioxo-heptanoic acid (24090-40-2) → 3-[5-(4-methoxy-phenyl)-pyrrol-2-yl]-propionic acid (431987-06-3)

Guidance literature:

With ammonium acetate;

DOI:10.1039/jr9390001743

Reference yield:

3-[5-(4-methoxy-phenyl)-pyrrol-2-yl]-propionic acid (431987-06-3) → 3-[5-(4-methoxy-phenyl)-pyrrol-2-yl]-propionic acid ethyl ester

Guidance literature:

With sulfuric acid;

DOI:10.1039/jr9390001743

Reference yield:

3-[5-(4-methoxy-phenyl)-pyrrol-2-yl]-propionic acid (431987-06-3) → 3-[5-(4-methoxy-phenyl)-pyrrol-2-yl]-propionic acid hydrazide

Guidance literature:

Multi-step reaction with 2 steps

1: ethanolic H₂SO₄

2: N₂H₄+H₂O

With sulfuric acid; hydrazine hydrate;

DOI:10.1039/jr9390001743

upstream raw materials:

7-(4-methoxy-phenyl)-4,7-dioxo-heptanoic acid

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