2-Methoxybutanoic acid

Base Information

• Chemical Name: 2-Methoxybutanoic acid
• CAS No.: 56674-69-2
• Molecular Formula: C₅H₁₀O₃
• Molecular Weight: 118.133
• Hs Code.: 2918990090
• European Community (EC) Number: 831-170-1
• DSSTox Substance ID: DTXSID90507119
• Mol file: 56674-69-2.mol

Synonyms:2-methoxybutanoic acid;56674-69-2;2-methoxybutyric acid;MFCD09864397;methoxybutyric acid;2-methoxybutyricacid;2-methoxy-butyric acid;SCHEMBL229118;DTXSID90507119;GVSTYPOYHNVKHY-UHFFFAOYSA-N;AC6372;AKOS005111090;CS-12408;SY057653;CS-0252116;FT-0681343;EN300-59017;Z449367058

Chemical Property of 2-Methoxybutanoic acid

Chemical Property:

• Vapor Pressure: 0.06mmHg at 25°C
• Refractive Index: 1.42527
• Boiling Point: 215℃
• Flash Point: 90℃
• PSA: 46.53000
• Density: 1.050
• LogP: 0.49600
• 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: 118.062994177
• Heavy Atom Count: 8
• Complexity: 79.7

Purity/Quality:

98%Min ^*data from raw suppliers

2-methoxybutanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)OC

Technology Process of 2-Methoxybutanoic acid

There total 9 articles about 2-Methoxybutanoic 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: 79.0%

methanol (67-56-1) + ethyl(trichloromethyl)carbinol (6111-61-1) → α-methoxy-n-butyric acid (56674-69-2,1207477-34-6)

Guidance literature:

With potassium hydroxide; at 50 ℃;

Reference yield: 56.0%

methyl 2-hydroxybutyrate (29674-47-3) + methyl iodide (74-88-4) → α-methoxy-n-butyric acid (56674-69-2,1207477-34-6)

Guidance literature:

methyl 2-hydroxybutyrate; With sodium hydride; In tetrahydrofuran; at 23 ℃; for 0.166667h;

methyl iodide; In tetrahydrofuran; at 23 ℃; for 24h;

DOI:10.1021/acs.orglett.8b02011

Reference yield: 15.0%

ethyl(trichloromethyl)carbinol (6111-61-1) + thiourea (17356-08-0) → 5-Aethyl-pseudothiohydantoin (1762-69-2) + α-methoxy-n-butyric acid (56674-69-2,1207477-34-6)

Guidance literature:

With potassium hydroxide; In methanol; at 50 ℃;

upstream raw materials:

2-methoxy-1-butanol

α-methoxycrotonic acid

sodium methylate

2-bromobutyric acid ethyl ester

Downstream raw materials:

3-(4-((3-fluorophenyl)ethynyl)phenyl)-5-(1-methoxypropyl)-1,2,4-oxadiazole

Refernces

• 1、 Reeve, Wilkins,Steckel, Thomas F.. "The reactions of ethyl-, vinyl-, and ethynyl(trichloromethyl)carbinols with aqueous amd methanolic potassium hydroxide, thiourea, and cyanamide". . p. 2784 - 2788. Retrieved 2007/10/02.