4-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid

Base Information

• Chemical Name: 4-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid
• CAS No.: 66933-69-5
• Molecular Formula: C10H12N2O2
• Molecular Weight: 192.2145
• Hs Code.: 2933990090
• European Community (EC) Number: 877-795-3
• NSC Number: 111086
• DSSTox Substance ID: DTXSID60296700
• Wikidata: Q82037410
• ChEMBL ID: CHEMBL1698085
• Mol file: 66933-69-5.mol

Synonyms:66933-69-5;4-(pyrrolidin-1-yl)pyridine-2-carboxylic acid;4-(1-pyrrolidinyl)-2-Pyridinecarboxylic acid;4-(Pyrrolidin-1-yl)picolinic acid;4-pyrrolidin-1-ylpyridine-2-carboxylic acid;MLS002704254;4-(1-Pyrrolidinyl)pyridine-2-carboxylic acid;2-Pyridinecarboxylicacid, 4-(1-pyrrolidinyl)-;NSC111086;SCHEMBL2533014;CHEMBL1698085;DTXSID60296700;MFCD07313129;66933-69-5 (HCl salt);AKOS008045823;NSC-111086;SB54062;SMR001301193;TS-02719;CS-0035741;EN300-34340;Z90667799

Chemical Property of 4-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.14E-07mmHg at 25°C
• Refractive Index: 1.603
• Boiling Point: 416.1 °C at 760 mmHg
• Flash Point: 205.5 °C
• PSA: 53.43000
• Density: 1.283 g/cm³
• LogP: 1.44500
• 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:

97% ^*data from raw suppliers

4-(1-Pyrrolidinyl)-2-pyridinecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=CC(=NC=C2)C(=O)O

Technology Process of 4-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid

There total 4 articles about 4-(Pyrrolidin-1-yl)pyridine-2-carboxylic 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: 66.0%

4-(pyrrolidin-1-yl)picolinamide (1001041-22-0) → 4-(pyrrolidin-1-yl)picolinic acid (66933-69-5)

Guidance literature:

4-(pyrrolidin-1-yl)picolinamide; With sodium hydroxide; In water; for 2h; Reflux;

With acetic acid;

DOI:10.1002/hc.21008

Reference yield:

pyrrolidine (123-75-1) + 4-chloro-pyridine-2-carbonyl chloride (53750-66-6) → 4-(pyrrolidin-1-yl)picolinic acid (66933-69-5)

Guidance literature:

dmap; In dichloromethane; at 0 - 20 ℃; for 6h; Heating / reflux;

Reference yield:

4-chloropicolinamide (99586-65-9) → 4-(pyrrolidin-1-yl)picolinic acid (66933-69-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,4-dioxane / 3 h / Reflux

2: sodium hydroxide / water / 2 h / Reflux

With sodium hydroxide; In 1,4-dioxane; water;

DOI:10.1002/hc.21008

upstream raw materials:

pyrrolidine

4-chloro-pyridine-2-carbonyl chloride

4-chloropicolinamide

4-(pyrrolidin-1-yl)picolinamide

Downstream raw materials:

N-(4-Pyrrolidin-1-yl-pyridine-2-carbonyl)-N-p-tolyl-benzamide

N-Pyridin-2-yl-N-(4-pyrrolidin-1-yl-pyridine-2-carbonyl)-benzamide

N-(4-Nitro-phenyl)-N-(4-pyrrolidin-1-yl-pyridine-2-carbonyl)-benzamide

N-Cyclopentyl-N-(4-pyrrolidin-1-yl-pyridine-2-carbonyl)-benzamide