Butyl glyoxylate

Base Information

• Chemical Name: Butyl glyoxylate
• CAS No.: 6295-06-3
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• Hs Code.: 2918300090
• European Community (EC) Number: 228-561-9
• NSC Number: 11793
• UNII: AH46A7531R
• DSSTox Substance ID: DTXSID0064208
• Nikkaji Number: J206.862A
• Wikidata: Q65225259
• Mol file: 6295-06-3.mol

Synonyms:Butyl glyoxylate;butyl 2-oxoacetate;6295-06-3;Butyl oxoacetate;Butyl glyoxalate;N-Butyl glyoxylate;Acetic acid, oxo-, butyl ester;Glyoxylic acid, butyl ester;AH46A7531R;Acetic acid, 2-oxo-, butyl ester;NSC-11793;n-butyl glyoxalate;1-butyl glyoxylate;glyoxylic acid butyl ester;Glyoxalic acid butyl ester;SCHEMBL195396;UNII-AH46A7531R;DTXSID0064208;NSC11793;EINECS 228-561-9;MFCD00043908;NSC 11793;AKOS006273499;AI3-19936;FT-0655482

Chemical Property of Butyl glyoxylate

Chemical Property:

• Vapor Pressure: 1.37mmHg at 25°C
• Refractive Index: 1.41
• Boiling Point: 171.9 °C at 760 mmHg
• Flash Point: 62.8 °C
• PSA: 43.37000
• Density: 1.013 g/cm³
• LogP: 0.52860
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 98.5

Purity/Quality:

99.9% ^*data from raw suppliers

Butyl2-oxoacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: CCCCOC(=O)C=O

Technology Process of Butyl glyoxylate

There total 15 articles about Butyl glyoxylate 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: 97.0%

butyl glycolate (7397-62-8) → butyl glyoxalate (6295-06-3)

Guidance literature:

With (NH₄)₄[CuMo₆O₁₈(OH)₆]·5H₂O; oxygen; sodium sulfite; In water; acetonitrile; at 60 ℃; for 12h; under 760.051 Torr;

DOI:10.1039/c9gc01248f

Reference yield: 94.0%

dibutyl tartrate (344268-32-2,15763-01-6) → butyl glyoxalate (6295-06-3)

Guidance literature:

With periodic acid; In diethyl ether; at 0 ℃;

DOI:10.1021/ol900196w

Reference yield: 52.0%

dibutyl fumarate (105-75-9,29014-71-9) → butyl glyoxalate (6295-06-3)

Guidance literature:

dibutyl fumarate; With oxygen; ozone; In dichloromethane; at -78 ℃;

With dimethylsulfide; In dichloromethane; at -78 ℃; for 5h;

DOI:10.1021/ja504727u

upstream raw materials:

(+)-(2R,3R)-dibutyl tartrate

Dibutyl maleate

dibutyl tartrate

n-Butyl Dimethoxyacetate

Downstream raw materials:

2,2-bis-(4-methoxyphenyl)acetic acid

7-methylquinoxalin-2(1H)-one

6-methylquinoxaline-2(1H)-one

quinoxalin-2⁽¹⁾-one

Refernces

• 1、 Hu, Xu-Hong,Liu, Feng,Loh, Teck-Peng. "Stereoelectronic versus steric tuning in the prins cyclization reaction: Synthesis of 2fi-trans pyranyl motifs". . p. 1741 - 1743. Retrieved 2009.
• 2、 Wei, Zheyu,Ru, Shi,Zhao, Qixin,Yu, Han,Zhang, Gang,Wei, Yongge. "Highly efficient and practical aerobic oxidation of alcohols by inorganic-ligand supported copper catalysis". supporting information. p. 4069 - 4075. Retrieved 2019/08/07.
• 3、 -. "POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF". Page/Page column 24; 25. . Retrieved 2015/11/27.