2-(Pyridin-4-yl)cyclopropane-1-carboxylic acid

Base Information

• Chemical Name: 2-(Pyridin-4-yl)cyclopropane-1-carboxylic acid
• CAS No.: 484654-49-1
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.176
• DSSTox Substance ID: DTXSID301265650
• Mol file: 484654-49-1.mol

Synonyms:484654-49-1;2-(pyridin-4-yl)cyclopropane-1-carboxylic acid;2-(pyridin-4-yl)cyclopropanecarboxylic acid;2-(4-pyridyl)cyclopropanecarboxylic acid;2-Pyridin-4-yl-cyclopropanecarboxylic acid;2-pyridin-4-ylcyclopropane-1-carboxylic acid;2-(4-pyridinyl)Cyclopropanecarboxylic acid;rac-(1R,2R)-2-(Pyridin-4-yl)cyclopropane-1-carboxylic acid;SCHEMBL1017425;YFOFMIZNXREQAS-UHFFFAOYSA-N;DTXSID301265650;BHB14924;MFCD11934489;AKOS005217114;SB54671;AS-79708;2-(pyridin-4-yl)cyclopropanecarboxylicacid;FT-0708643;EN300-58874;F52568

Chemical Property of 2-(Pyridin-4-yl)cyclopropane-1-carboxylic acid

Chemical Property:

• Boiling Point: 95-105 °C(Press: 0.3 Torr)
• PKA: 3.99±0.11(Predicted)
• Density: 1.327±0.06 g/cm3(Predicted)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

2-(Pyridin-4-yl)cyclopropanecarboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C1C(=O)O)C2=CC=NC=C2

Technology Process of 2-(Pyridin-4-yl)cyclopropane-1-carboxylic acid

There total 14 articles about 2-(Pyridin-4-yl)cyclopropane-1-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: 84.0%

trans-N-methoxy-N-methyl-2-(pyridin-4-yl)cyclopropane-1-carboxamide → trans-2-(pyridin-4-yl)cyclopropane-1-carboxylic acid (801149-24-6,484654-49-1)

Guidance literature:

With water; potassium hydroxide; In ethanol; at 20 ℃; for 20h;

Reference yield: 62.0%

2-pyridin-4-yl-cyclopropanecarboxylic acid methoxy methylamide → trans-2-(pyridin-4-yl)cyclopropanecarboxylic acid (801149-24-6,484654-49-1)

Guidance literature:

With potassium tert-butylate; water; In diethyl ether; at 20 ℃; for 16h;

Reference yield:

ethyl trans-2-pyridin-4-ylcyclopropanecarboxylate → trans-2-pyridin-4-ylcyclopropanecarboxylic acid (801149-24-6,484654-49-1)

Guidance literature:

ethyl trans-2-pyridin-4-ylcyclopropanecarboxylate; With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 24h;

With hydrogenchloride; In tetrahydrofuran; at 20 ℃; for 24h;

upstream raw materials:

4-bromopyridin

3-(pyridin-4-yl)acrylic acid

(2E)-N-methoxy-N-methyl-3-(pyridin-4-yl)prop-2-enamide

3-(4-pyridinyl)-2-propenoic acid