3-Pyridinepropionic acid

Base Information

• Chemical Name: 3-Pyridinepropionic acid
• CAS No.: 3724-19-4
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 29333999
• European Community (EC) Number: 625-099-3
• NSC Number: 89720
• UNII: CPK99G68KH
• DSSTox Substance ID: DTXSID40293459
• Nikkaji Number: J1.714.843E
• ChEMBL ID: CHEMBL1725941
• Mol file: 3724-19-4.mol

Synonyms:3724-19-4;3-Pyridinepropionic acid;3-(3-Pyridyl)propionic acid;3-pyridinepropanoic acid;3-pyridin-3-ylpropanoic acid;3-(pyridin-3-yl)propanoic acid;3-(Pyridin-3-yl)propionic acid;Pyridine-3-propionic acid;3-(3-Pyridinyl)propanoic acid;CPK99G68KH;MLS000736888;3-Pyridin-3-yl-propionic acid;MFCD00274197;NSC-89720;3-(3-Pyridyl)propionicacid;3-Pyridinepropionicacid;3-(3-pyridyl)propanoic acid;3-pyridylpropionic acid;Maybridge4_001332;3-pyridine propionic acid;UNII-CPK99G68KH;Oprea1_821357;SCHEMBL333061;3-(3-pyridyl) propanoic acid;3-(3-Pyridyl)-propionic acid;3-Pyridinepropionic acid, 98%;CHEMBL1725941;3-(pyridine-3-yl)propanoic acid;DTXSID40293459;CHEBI:183427;3-(3-Pyridinyl)propanoic acid #;HMS1524M12;HMS2884B14;NSC89720;STR05217;CCG-52144;NSC 89720;AKOS000206872;3-(3'-PYRIDYL)PROPIONIC ACID;CS-W018123;FG-0459;SB52859;IDI1_031914;NCGC00188252-01;BP-21041;SMR000528410;SY017981;A6388;FT-0613627;P1992;EN300-13003;SR-01000641396-1;Z89264892

Chemical Property of 3-Pyridinepropionic acid

Chemical Property:

• Appearance/Colour: Slightly beige crystalline powder
• Melting Point: 156-160 °C(lit.)
• Boiling Point: 309.9 °C at 760 mmHg
• PKA: 4.20±0.10(Predicted)
• Flash Point: 141.2 °C
• PSA: 50.19000
• Density: 1.194 g/cm³
• LogP: 1.09880
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(3-Pyridyl)propionic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S36:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CN=C1)CCC(=O)O
• Uses: 3-Pyridinepropionic acid (PPA) may be used: in the preparation of new coordination polymers of Ag, Cu and Zn, via reaction with AgNO3, Cu(NO3)2·6H2O and Zn(NO32·6H2O in MeOH in the hydrothermal synthesis of coordination polymers, [Zn(PPA)2(H2O)2]n and [Cd(PPA)2]n as bidentate chelating agent for the chelation of rare-earth ions, Eu3+ and Tb3+ for the fluorescence enhancement in sol-gels. 3-Pyridinepropionic acid (PPA) may be used:in the preparation of new coordination polymers of Ag, Cu and Zn, via reaction with AgNO3, Cu(NO3)2·6H2O and Zn(NO32·6H2O in MeOHin the hydrothermal synthesis of coordination polymers, [Zn(PPA)2(H2O)2]n and [Cd(PPA)2]nas bidentate chelating agent for the chelation of rare-earth ions, Eu3+ and Tb3+ for the fluorescence enhancement in sol-gels

Technology Process of 3-Pyridinepropionic acid

There total 16 articles about 3-Pyridinepropionic 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: 100.0%

3-(pyridin-3-yl)acrylic acid (1126-74-5) → 3-pyridine propionic acid (3724-19-4)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; ethanol;

Reference yield: 99.0%

trans-3-(3-pyridyl)acrylic acid (19337-97-4,1126-74-5) → 3-pyridine propionic acid (3724-19-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 4h; under 258.6 Torr;

DOI:10.1021/jm00074a010

Reference yield: 95.0%

3-(3-pyridyl)propan-1-ol (2859-67-8) → 3-pyridine propionic acid (3724-19-4)

Guidance literature:

With 1-hydroxycyclohexyl phenyl ketone; sodium hydroxide; In 1,2-dimethoxyethane; at 80 ℃; chemoselective reaction; Sealed tube;

DOI:10.1021/acs.orglett.1c02188

upstream raw materials:

3-pyridin-3-yl-propionic acid ethyl ester

trans-3-(3-pyridyl)acrylic acid

(E)-3-(2-carboxyvinyl)pyridine 1-oxide

3-(3-pyridyl)propan-1-ol

Downstream raw materials:

α-cyclohexyl-N-[1-[1-oxo-3-(3-pyridinyl)propyl]-4-piperidinyl]benzeneacetamide

C₅₂H₃₀ClF₆FeN₆O

(2S)-2-[3-(pyridine-3-yl)propanoylamino]-6-ethanethioylamino-N-(2-oxo-2-phenylethyl)hexanamide

(2S)-6-(ethanethioylamino)-N-phenyl-2-[3-(pyridin-3-yl)propanoylamino]hexanamide

Refernces

• 1、 Murphy, Rhys B.,Johnston, Martin R.. "A temperature switchable pyridyl-zinc(II) side arm porphyrin with functionality for surface immobilisation". . p. 866 - 877. Retrieved 2021/07/12.
• 2、 Huang, Zijun,Cheng, Yazhe,Chen, Xipeng,Wang, Hui-Fang,Du, Chen-Xia,Li, Yuehui. "Regioselectivity inversion tuned by iron(iii) salts in palladium-catalyzed carbonylations". supporting information. p. 3967 - 3970. Retrieved 2018/04/23.