5-(1H-Pyrrol-1-yl)pentanoic acid

Base Information

• Chemical Name: 5-(1H-Pyrrol-1-yl)pentanoic acid
• CAS No.: 145511-35-9
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.208
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30435588
• Nikkaji Number: J1.981.528E
• Wikidata: Q82250625
• Mol file: 145511-35-9.mol

Synonyms:5-(1H-Pyrrol-1-yl)pentanoic acid;145511-35-9;1H-Pyrrole-1-pentanoic acid;5-pyrrol-1-ylpentanoic Acid;MFCD19635244;5-(1-Pyrrolyl)pentanoic Acid;SCHEMBL5512391;DTXSID30435588;5-(1H-Pyrrol-1-yl)pentanoicacid;VFA51135;AKOS013375671;SB63383;AS-59147;SY100849;CS-0313700;W18290

Chemical Property of 5-(1H-Pyrrol-1-yl)pentanoic acid

Chemical Property:

• PSA: 42.23000
• LogP: 1.74300
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

98.5% ^*data from raw suppliers

5-(1H-pyrrol-1-yl)pentanoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=C1)CCCCC(=O)O

Technology Process of 5-(1H-Pyrrol-1-yl)pentanoic acid

There total 2 articles about 5-(1H-Pyrrol-1-yl)pentanoic 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: 72.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 5-aminopentanoic acid (660-88-8) → 4-(1-pyrrolyl)pentanoic acid (145511-35-9)

Guidance literature:

With sodium acetate; acetic acid; sodium hydroxide; In water; 1,2-dichloro-ethane; at 110 ℃; for 20h;

Reference yield:

3,4,5,6-tetrahydro-2H-pyran-2-one (542-28-9,26354-94-9) + pyrrole (109-97-7,30604-81-0) → 4-(1-pyrrolyl)pentanoic acid (145511-35-9)

Guidance literature:

With potassium hydride; Yield given. Multistep reaction; 2) 200 deg C, 3 h;

DOI:10.1021/jo00054a044

Reference yield: 47.0%

4-(1-pyrrolyl)pentanoic acid (145511-35-9) → 5,6,7,8-tetrahydro-9H-pyrrolo[1,2-a]azepin-9-one (22607-51-8)

Guidance literature:

With methanesulfonic acid; phosphorus pentoxide; calcium chloride; at 20 ℃; for 4h;

4-(1-pyrrolyl)pentanoic acid; at 20 ℃; for 6h;

upstream raw materials:

3,4,5,6-tetrahydro-2H-pyran-2-one

pyrrole

cis,trans-2,5-dimethoxytetrahydrofuran

5-aminopentanoic acid

Downstream raw materials:

5,6,7,8-tetrahydro-9H-pyrrolo[1,2-a]azepin-9-one

Refernces

• 1、 -. "DIHYDROINDOLIZINE DERIVATE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS". Page/Page column 62. . Retrieved 2013/02/28.