4-Pyridinebutanoic acid

Base Information

• Chemical Name: 4-Pyridinebutanoic acid
• CAS No.: 102878-73-9
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10390202
• Nikkaji Number: J1.641.050K
• Mol file: 102878-73-9.mol

Synonyms:4-Pyridin-4-yl-butyric acid;4-Pyridinebutanoic acid;102878-73-9;4-(pyridin-4-yl)butanoic acid;4-pyridin-4-ylbutanoic Acid;4-(4-pyridyl)butanoic acid;4-pyridinebutyric acid;4-(4-pyridyl)butyric acid;4-Pyridin-4-ylbutyric acid;4-(4-pyridinyl)butanoic acid;SCHEMBL1624984;DTXSID10390202;AMY16373;CEA87873;MFCD00673154;STK691862;AKOS000672473;SB54070;NCGC00340276-01;AS-47669;BB 0256754;CS-0059802;FT-0754965;EN300-153643;F15138;AB01331744-02

Chemical Property of 4-Pyridinebutanoic acid

Chemical Property:

• Boiling Point: 325.9±17.0 °C(Predicted)
• PKA: 4.60±0.10(Predicted)
• PSA: 50.19000
• Density: 1.154±0.06 g/cm3(Predicted)
• 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: 142

Purity/Quality:

98%min ^*data from raw suppliers

4-Pyridin-4-yl-butyric acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1CCCC(=O)O

Technology Process of 4-Pyridinebutanoic acid

There total 7 articles about 4-Pyridinebutanoic 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: 80.0%

4-vinylpyridine (100-43-6,329041-72-7) + diethyl malonate (105-53-3) → γ-(pyridin-4-yl)butyric acid (102878-73-9)

Guidance literature:

diethyl malonate; With ethanol; sodium; for 0.166667h; Inert atmosphere;

4-vinylpyridine;

Reference yield:

4-vinylpyridine (100-43-6,329041-72-7) → γ-(pyridin-4-yl)butyric acid (102878-73-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) EtOH, 80 deg C, 30 min, 2.) EtOH, 80 deg C, 3 h

2: 20percent aq. HCl / 16 h / Heating

With hydrogenchloride; sodium hydride;

DOI:10.1021/jm9801096

Reference yield:

4-(3-cyanopropyl)pyridine (84200-09-9) → γ-(pyridin-4-yl)butyric acid (102878-73-9)

Guidance literature:

With potassium hydroxide; In ethanol; for 3h; Heating;

DOI:10.1021/jm0309147

upstream raw materials:

ethyl 2-ethoxycarbonyl-4-(pyrid-4-yl)-butanoate

4-(3-cyanopropyl)pyridine

4-(3-Hydroxypropyl)pyridine

3-(4-pyridyl)-1-chloropropane

Downstream raw materials:

4-(3-cyanopropyl)pyridine

4-(4-pyridinyl)butan-1-ol

tirofiban hydrochloride

N-(n-butanesulfonyl)-O-(4-(4-pyridinyl)-butyl)-(S)-tyrosine

Refernces

• 1、 -. "Synthesis method of tirofiban hydrochloride intermediate III (by machine translation)". Paragraph 0058-0059. . Retrieved 2020/06/02.
• 2、 Klein, Scott I.,Molino, Bruce F.,Czekaj, Mark,Gardner, Charles J.,Chu, Valeria,Brown, Karen,Sabatino, Ralph D.,Bostwick, Jeffrey S.,Kasiewski, Charles,Bentley, Ross,Windisch, Vincent,Perrone, Mark,Dunwiddie, Christopher T.,Leadley, Robert J.. "Design of a new class of orally active fibrinogen receptor antagonists". . p. 2492 - 2502. Retrieved 2007/10/03.