1-(Pyridin-2-yl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(Pyridin-2-yl)cyclopropanecarboxylic acid
• CAS No.: 162960-26-1
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.17
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40597025
• Wikidata: Q72504143
• Mol file: 162960-26-1.mol

Synonyms:1-(pyridin-2-yl)cyclopropanecarboxylic acid;162960-26-1;1-(PYRIDIN-2-YL)CYCLOPROPANE-1-CARBOXYLIC ACID;1-pyridin-2-ylcyclopropane-1-carboxylic acid;1-(2-PYRIDYL)CYCLOPROPANECARBOXYLIC ACID;CYCLOPROPANECARBOXYLIC ACID, 1-(2-PYRIDINYL)-;1-Pyridin-2-ylcyclopropanecarboxylic acid;1-(Pyridin-2-yl)cyclopropanecarboxylicacid;SCHEMBL7422416;DTXSID40597025;DHOWKIWZOCQDDV-UHFFFAOYSA-N;AMY22920;MFCD09864786;AKOS006312352;AB53883;CS-W018577;FS-3362;DB-013737;A22808;EN300-151118;1-(pyridin-2-yl)cyclopropanecarboxylic acid, AldrichCPR;F1967-3211

Chemical Property of 1-(Pyridin-2-yl)cyclopropanecarboxylic acid

Chemical Property:

• Vapor Pressure: 2.7E-05mmHg at 25°C
• Boiling Point: 343.4°C at 760 mmHg
• PKA: 3.15±0.20(Predicted)
• Flash Point: 161.5°C
• PSA: 50.19000
• Density: 1.344g/cm³
• LogP: 1.19780
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

1-(Pyridin-2-yl)cyclopropanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC=CC=N2)C(=O)O

Technology Process of 1-(Pyridin-2-yl)cyclopropanecarboxylic acid

There total 3 articles about 1-(Pyridin-2-yl)cyclopropanecarboxylic 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:

methyl 1-(pyridin-2-yl)cyclopropanecarboxylate (162960-27-2) → 1-(pyridin-2-yl)cyclopropanecarboxylic acid (162960-26-1)

Guidance literature:

methyl 1-(pyridin-2-yl)cyclopropanecarboxylate; With methanol; sodium hydroxide; water; at 20 ℃; for 4h;

With hydrogenchloride; In methanol; water; pH=< 1;

Reference yield:

aqueous potassium hydroxide + 1-(pyridin-2-yl)cyclopropanecarbonitrile (162960-28-3) + sulfuric acid (7664-93-9) → 1-(pyridin-2-yl)cyclopropanecarboxylic acid (162960-26-1)

Guidance literature:

In methanol; water;

Reference yield:

methyl 2-pyridylacetate (1658-42-0) → 1-(pyridin-2-yl)cyclopropanecarboxylic acid (162960-26-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.17 h

1.2: 0.17 h

1.3: 16 h / 60 °C

2.1: methanol; sodium hydroxide; water / 4 h / 20 °C

2.2: pH < 1

With methanol; sodium hydroxide; water; lithium hexamethyldisilazane; In tetrahydrofuran;

upstream raw materials:

1-(pyridin-2-yl)cyclopropanecarbonitrile

sulfuric acid

methyl 1-(pyridin-2-yl)cyclopropanecarboxylate

methyl 2-pyridylacetate

Downstream raw materials:

1-(pyridin-2-yl)cyclopropan-1-amine