2-Methoxy-2-methylpropanoic acid

Base Information

• Chemical Name: 2-Methoxy-2-methylpropanoic acid
• CAS No.: 13836-62-9
• Molecular Formula: C5H10O3
• Molecular Weight: 118.133
• Hs Code.: 2918990090
• European Community (EC) Number: 802-257-1
• DSSTox Substance ID: DTXSID00431794
• Nikkaji Number: J833.712H
• Wikidata: Q72490665
• Mol file: 13836-62-9.mol

Synonyms:2-methoxy-2-methyl-propanoic acid;2-methoxy-2-methylpropanoic acid;2-MMP acid

Chemical Property of 2-Methoxy-2-methylpropanoic acid

Chemical Property:

• Boiling Point: 205 °C at 760 mmHg
• PKA: 3.74±0.10(Predicted)
• Flash Point: 84.5 °C
• PSA: 46.53000
• Density: 1.053 g/cm³
• LogP: 0.49600
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 95.8

Purity/Quality:

99%, ^*data from raw suppliers

2-Methoxy-2-methylpropanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C(=O)O)OC

Technology Process of 2-Methoxy-2-methylpropanoic acid

There total 22 articles about 2-Methoxy-2-methylpropanoic 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: 77.0%

methyl 2-methoxy-2-methylpropanoate (17860-39-8) → 2-methoxy-2-methylpropanoic acid (13836-62-9)

Guidance literature:

With water; sodium hydroxide; In methanol; at 40 ℃; for 2h;

Reference yield: 61.0%

methanol (67-56-1) + 1,1,1-trichloro-2-methyl-2-propanol (57-15-8) → 2-methoxy-2-methylpropanoic acid (13836-62-9)

Guidance literature:

With water; potassium hydroxide; at 0 ℃; for 3.5h; Inert atmosphere; Reflux;

DOI:10.1002/ejoc.202101280

Reference yield: 43.0%

methanol (67-56-1) + dimethyl α-peroxy lactone (39605-37-3) → 2-methoxy-2-methylpropanoic acid (13836-62-9) + 2-(2-Methoxy-1-methyl-propoxy)-2-methyl-propionic acid

Guidance literature:

With (Z)-2-Butene; In 1,1,1-trichloroethane; at -20 ℃; for 24h; Title compound not separated from byproducts;

DOI:10.1021/ja953442x

upstream raw materials:

methanol

α-Nitrato-isobuttersaeure

2,5-dimethoxy-2,5-dimethyl-hex-3-ene

2-bromo-2-methylpropionic acid

Downstream raw materials:

2-methoxy-2-methyl-1-phenyl-1-propanone

2,2-bis(4-methoxyphenyl)propane

Refernces

• 1、 Smith et al.. "". . p. 2190. Retrieved 1961.
• 2、 Breinbauer, Rolf,Grimm, Sebastian,Schreiner, Till,Trobe, Melanie,Vareka, Martin,W?lfl, Bernhard. "A Modular Synthesis of Teraryl-Based α-Helix Mimetics, Part 5: A Complete Set of Pyridine Boronic Acid Pinacol Esters Featuring Side Chains of Proteinogenic Amino Acids". supporting information. . Retrieved 2022/03/02.
• 3、 -. "N-Acyl-N'-(pyridin-2-yl) Ureas and Analogs Exhibiting Anti-Cancer and Anti-Proliferative Activities". Paragraph 0245. . Retrieved 2014/09/29.