3-(2-Methoxypyridin-4-YL)propanoic acid

Base Information

• Chemical Name: 3-(2-Methoxypyridin-4-YL)propanoic acid
• CAS No.: 102336-07-2
• Molecular Formula: C₉H₁₁NO₃
• Molecular Weight: 181.191
• DSSTox Substance ID: DTXSID10557616
• Wikidata: Q82439571
• Mol file: 102336-07-2.mol

Synonyms:3-(2-METHOXYPYRIDIN-4-YL)PROPANOIC ACID;102336-07-2;4-Pyridinepropanoic acid, 2-methoxy-;MFCD10698168;SCHEMBL3724453;DTXSID10557616;UIRMZWVSXQGAQI-UHFFFAOYSA-N;CEA33607;AKOS006303911;AB61449;3-(2-Methoxy-4-pyridyl)propanoic Acid;AS-39604;SY124442;CS-0037990;EN300-1845128

Chemical Property of 3-(2-Methoxypyridin-4-YL)propanoic acid

Chemical Property:

• PSA: 59.42000
• LogP: 1.10740
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Methoxypyridin-4-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC=CC(=C1)CCC(=O)O

Technology Process of 3-(2-Methoxypyridin-4-YL)propanoic acid

There total 8 articles about 3-(2-Methoxypyridin-4-YL)propanoic 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: 72.0%

3-(2-methoxy-4-pyridyl)propionaldehyde (119836-18-9) → 3-(2-methoxypyridin-4-yl)propanoic acid (102336-07-2)

Guidance literature:

With potassium permanganate; Aliquat 336; In acetone; at 25 ℃; for 1.5h;

Reference yield: 24.0%

2-methoxy-4-methyl-pyridine (100848-70-2) + sodium monochloroacetic acid (3926-62-3) → 3-(2-methoxypyridin-4-yl)propanoic acid (102336-07-2)

Guidance literature:

2-methoxy-4-methyl-pyridine; With ammonia; sodium amide; at -50 ℃; for 0.5h;

sodium monochloroacetic acid; for 3.5h;

With hydrogenchloride; In water; pH=1;

Reference yield:

2-Amino-4-methylpyridine (695-34-1) → 3-(2-methoxypyridin-4-yl)propanoic acid (102336-07-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) hydrogen chloride gas; 2.) sodium nitrite / 1.) concd. hydrochloric acid, 0 - 5 deg C; 2.) water

2: 90 percent / methanol / Heating

3: 1.) sodamide / 1.) liq. NH₃, 30 min; 2.) liq. NH₃, 3.5 h

With hydrogenchloride; sodium amide; sodium nitrite; In methanol;

upstream raw materials:

2-methoxy-4-methyl-pyridine

sodium monochloroacetic acid

3-(2-methoxy-4-pyridyl)propionaldehyde

2-Amino-4-methylpyridine

Downstream raw materials:

2-(2-methoxypyridin-4-yl)ethylamine

2-(2-methoxy-4-pyridyl)ethylamine dihydrochloride

2-(2-methoxypyridin-4-yl)ethanamine hydrochloride

N-n-propyl-N-<2-(2-methoxy-4-pyridyl)ethyl>-2-phenylethanamide

Refernces

• 1、 -. "THIAZOLOPYRIMIDINE COMPOUNDS". Page/Page column 54. . Retrieved 2012/10/08.