4-(Pyridin-2-yl)butanoic acid

Base Information

• Chemical Name: 4-(Pyridin-2-yl)butanoic acid
• CAS No.: 102879-51-6
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.192
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00548038
• Mol file: 102879-51-6.mol

Synonyms:4-(pyridin-2-yl)butanoic acid;102879-51-6;2-Pyridinebutanoic acid;4-Pyridin-2-yl-butyric acid;4-(2-PYRIDINYL)BUTANOIC ACID;4-pyridin-2-ylbutanoic acid;4-(2-pyridyl)butanoic acid;MFCD00234552;4-(3'-pyridyl) butyric acid;SCHEMBL3673389;AMY2379;DTXSID00548038;AKOS005603899;AC-4763;NCGC00342670-01;DS-13586;SY110052;CS-0155842;A25738;O11098;AB00444080-03;4-(2-Pyridinyl)butanoic acid

Chemical Property of 4-(Pyridin-2-yl)butanoic acid

Chemical Property:

• Vapor Pressure: 0.000403mmHg at 25°C
• Melting Point: 84-85 °C
• Refractive Index: 1.537
• Boiling Point: 303.7 °C at 760 mmHg
• PKA: 4.46±0.10(Predicted)
• Flash Point: 137.5 °C
• PSA: 50.19000
• Density: 1.154g/cm³
• LogP: 1.48890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

4-(Pyridin-2-yl)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)CCCC(=O)O

Technology Process of 4-(Pyridin-2-yl)butanoic acid

There total 9 articles about 4-(Pyridin-2-yl)butanoic 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: 22.0%

(2-[2]pyridyl-ethyl)-malonic acid (203247-83-0) → 2-(3-hydroxycarbonylpropyl)pyridine (102879-51-6)

Guidance literature:

In 1,3,5-trimethyl-benzene; for 1.5h; Heating;

DOI:10.1007/BF00761987

Reference yield:

diethyl 2-(2-pyridyl)ethylmalonate (84199-92-8) → 2-(3-hydroxycarbonylpropyl)pyridine (102879-51-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KOH / ethanol / 3 h / Heating

2: 3 h / 150 °C

With potassium hydroxide; In ethanol;

DOI:10.1021/jm0309147

Reference yield:

2-(2-chloroethyl)pyridine (16927-00-7) → 2-(3-hydroxycarbonylpropyl)pyridine (102879-51-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NaH; KI / dimethylformamide / 0.5 h / cooling

1.2: dimethylformamide / 48 h / 80 °C

2.1: aq. KOH / ethanol / 3 h / Heating

3.1: 3 h / 150 °C

With potassium hydroxide; sodium hydride; potassium iodide; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm0309147

upstream raw materials:

1-(2-pyridyl)pentan-4-one

(2-[2]pyridyl-ethyl)-malonic acid

ethyl-β-(2-pyridyl)ethylacetoacetate

5-oxo-5-phenyl-4-[2]pyridyl-valeric acid

Refernces

• 1、 -. "SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS". . . Retrieved 2008/06/13.