2-Pyrrolidin-1-yl-isonicotinic acid

Base Information

• Chemical Name: 2-Pyrrolidin-1-yl-isonicotinic acid
• CAS No.: 98088-04-1
• Molecular Formula: C₁₀H₁₂N₂O₂
• Molecular Weight: 192.217
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90424433
• Wikidata: Q82237009
• Mol file: 98088-04-1.mol

Synonyms:98088-04-1;2-Pyrrolidin-1-yl-isonicotinic acid;2-(pyrrolidin-1-yl)isonicotinic acid;2-(pyrrolidin-1-yl)pyridine-4-carboxylic acid;4-Pyridinecarboxylic acid, 2-(1-pyrrolidinyl)-;2-pyrrolidin-1-ylisonicotinic acid;2-pyrrolidin-1-ylpyridine-4-carboxylic acid;2-pyrrolidin-1-ylpyridine-4-carboxylic acid hydrochloride;SCHEMBL1516867;DTXSID90424433;PQLHQGBNMJTAEH-UHFFFAOYSA-N;HMS1699G12;AMY27338;2-(pyrrolidin-1-yl)isonicotinicacid;BBL013257;MFCD04115212;STK503435;AKOS000215613;AB19700;TS-02714;CS-0208387;FT-0757031;4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)-;EN300-703437;F17757

Chemical Property of 2-Pyrrolidin-1-yl-isonicotinic acid

Chemical Property:

• Vapor Pressure: 3.1E-13mmHg at 25°C
• Melting Point: 211 °C
• Boiling Point: 473 °C at 760 mmHg
• Flash Point: 239.9 °C
• PSA: 53.43000
• Density: 1.283 g/cm³
• LogP: 1.44500
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.089877630
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99.3% ^*data from raw suppliers

2-(Pyrrolidin-1-yl)pyridine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=NC=CC(=C2)C(=O)O
• Uses: 2-Pyrrolidinylisonicotinic Acid preparation of aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5 inhibitors.

Technology Process of 2-Pyrrolidin-1-yl-isonicotinic acid

There total 2 articles about 2-Pyrrolidin-1-yl-isonicotinic 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: 31.0%

pyrrolidine (123-75-1) + 2-chloroisonicotinic acid, (6313-54-8) → 2-pyrrolidinoisonicotinic acid (98088-04-1)

Guidance literature:

at 80 ℃;

Reference yield:

→ 2-pyrrolidinoisonicotinic acid (98088-04-1)

Guidance literature:

upstream raw materials:

pyrrolidine

2-chloroisonicotinic acid,

Refernces

• 1、 -. "HETEROCYCLIC CYTOKINE INHIBITORS". Page/Page column 133. . Retrieved 2010/11/27.