2-Ethoxy-2-methylpropanoic acid

Base Information

• Chemical Name: 2-Ethoxy-2-methylpropanoic acid
• CAS No.: 15001-71-5
• Molecular Formula: C6H12 O3
• Molecular Weight: 132.159
• Hs Code.: 2918990090
• European Community (EC) Number: 840-865-9
• DSSTox Substance ID: DTXSID30560602
• Wikidata: Q72471801
• Mol file: 15001-71-5.mol

Synonyms:2-ETHOXY-2-METHYLPROPANOIC ACID;15001-71-5;2-Ethoxy-2-methylpropionic Acid;propanoic acid, 2-ethoxy-2-methyl-;MFCD14636712;2-Ethoxy-2-methylpropionicAcid;SCHEMBL642729;DTXSID30560602;ZCGZOPIPEZCKKQ-UHFFFAOYSA-N;AKOS015995483;AS-31010;SY013215;CS-0208957;EN300-114255;2-Ethoxy-2-methyl-propionic acid

Chemical Property of 2-Ethoxy-2-methylpropanoic acid

Chemical Property:

• Vapor Pressure: 0.038mmHg at 25°C
• Refractive Index: 1.428
• Boiling Point: 222℃
• PKA: 3.83±0.10(Predicted)
• Flash Point: 89℃
• PSA: 46.53000
• Density: 1.027
• LogP: 0.88610
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C)(C)C(=O)O

Technology Process of 2-Ethoxy-2-methylpropanoic acid

There total 8 articles about 2-Ethoxy-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: 92.0%

α-ethoxy-isobutyric acid benzyl ester (1000296-72-9) → 2-ethoxy-2-methyl-propanoic acid (15001-71-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; under 2844.39 Torr;

Reference yield: 76.0%

2-ethoxy-2-methylpropanoic acid methyl ester (17860-41-2) → 2-ethoxy-2-methyl-propanoic acid (15001-71-5)

Guidance literature:

With water; potassium hydroxide; In methanol; at 20 ℃;

Reference yield: 73.0%

ethanol (64-17-5) + 2-bromo-2-methylpropionic acid (2052-01-9) → 2-ethoxy-2-methyl-propanoic acid (15001-71-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; at -5 - 40 ℃;

DOI:10.1021/op1002038

upstream raw materials:

ethanol

2-bromo-2-methylpropionic acid

Ethyl dichloro-(ethoxy)-acetate

2-ethoxy-2-methylpropanoic acid methyl ester

Downstream raw materials:

ethyl 2-ethoxy-2-methylpropanoate

methyl methacrylate

chloromethyl 2-ethoxy-2-methylpropanoate

C₈H₁₅ClO₃S

Refernces

• 1、 -. "BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS". Page/Page column 110; 111. . Retrieved 2014/03/25.
• 2、 Ragan, John A.,Ide, Nathan D.,Cai, Weiling,Cawley, James J.,Colon-Cruz, Roberto,Kumar, Rajesh,Peng, Zhihui,Vanderplas, Brian C.. "Development of a practical and efficient synthesis of chloromethyl 2-ethoxy-2-methylpropanoate". experimental part. p. 1402 - 1406. Retrieved 2011/09/20.