2-(2-Carboxyethyl)thio-4,6-dimethylpyrimidine

Base Information

• Chemical Name: 2-(2-Carboxyethyl)thio-4,6-dimethylpyrimidine
• CAS No.: 247225-29-2
• Molecular Formula: C9H12N2O2S
• Molecular Weight: 212.27
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00350173
• Wikidata: Q82125976
• Mol file: 247225-29-2.mol

Synonyms:247225-29-2;2-(2-Carboxyethyl)thio-4,6-dimethylpyrimidine;3-((4,6-Dimethylpyrimidin-2-yl)thio)propanoic acid;3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid;3-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-propionic acid;3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanoic acid;3-(4,6-Dimethylpyrimidin-2-ylthio)propanoic acid;ChemDiv2_003518;Propanoic acid, 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-;DTXSID00350173;HMS1378P20;XJA22529;STK228999;AKOS000291543;CCG-105023;SB59496;AS-69486;BB 0219212;EU-0069308;FT-0729628;F81401;SR-01000411011;3-((4,6-Dimethylpyrimidin-2-yl)thio)propanoicacid;SR-01000411011-1;3-(4,6-Dimethylpyrimidin-2-ylsulfanyl)propanoic acid;2-(2-carboxyethyl)thio-4,6-dimethylpyrimidine, AldrichCPR

Chemical Property of 2-(2-Carboxyethyl)thio-4,6-dimethylpyrimidine

Chemical Property:

• Boiling Point: 400.4±33.0 °C(Predicted)
• PKA: 4.24±0.10(Predicted)
• PSA: 88.38000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 1.66020
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.06194880
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Carboxyethyl)thio-4,6-dimethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36-34
• Safety Statements: 26-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)SCCC(=O)O)C

Technology Process of 2-(2-Carboxyethyl)thio-4,6-dimethylpyrimidine

There total 1 articles about 2-(2-Carboxyethyl)thio-4,6-dimethylpyrimidine 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: 75.8%

chloropropionic acid (107-94-8) + 4,6-dimethyl-2-meraptopyrimidine (22325-27-5,131321-42-1) → 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-propanoic acid (247225-29-2)

Guidance literature:

With sodium hydroxide; In water; at 80 ℃; for 1.5h; Reflux;

DOI:10.1002/zaac.201500018

upstream raw materials:

chloropropionic acid

4,6-dimethyl-2-meraptopyrimidine