Butoxyacetic acid

Base Information

• Chemical Name: Butoxyacetic acid
• CAS No.: 2516-93-0
• Molecular Formula: C6H12 O3
• Molecular Weight: 132.159
• Hs Code.: 29189900
• European Community (EC) Number: 677-364-8
• NSC Number: 10980
• DSSTox Substance ID: DTXSID0050392
• Nikkaji Number: J254.920D
• Wikidata: Q22137005
• Metabolomics Workbench ID: 49575
• Mol file: 2516-93-0.mol

Synonyms:2-butoxyacetic acid;n-butoxyacetic acid;n-butoxyacetic acid, sodium salt

Chemical Property of Butoxyacetic acid

Chemical Property:

• Appearance/Colour: Clear light yellow liquid. Acetic odor.
• Vapor Pressure: 0.0134mmHg at 25°C
• Melting Point: 108°C
• Refractive Index: 1.425-1.427
• Boiling Point: 239.5 °C at 760 mmHg
• PKA: 3.55±0.10(Predicted)
• Flash Point: 97.5 °C
• PSA: 46.53000
• Density: 1.017
• LogP: 0.88770
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 80.4

Purity/Quality:

99% ^*data from raw suppliers

2-ButoxyaceticAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOCC(=O)O

Technology Process of Butoxyacetic acid

There total 1 articles about Butoxyacetic 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: 32.0%

2-Butoxyethanol (111-76-2,9004-77-7) → 2-butoxyacetic acid (2516-93-0) + oxalic acid (144-62-7,97993-78-7) + butyric acid (107-92-6)

Guidance literature:

With nitric acid; In water; at 50 ℃; for 2h;

DOI:10.1134/S1070428007050223

Reference yield: 59.0%

2-butoxyacetic acid (2516-93-0) + (1S,2S)-2-amino-3-morpholino-1-phenyl-1-propanol (193545-66-3) → (1S,2S)-2-(3-oxaheptanoyl)amino-3-morpholino-1-phenyl-1-propanol

Guidance literature:

With 1,2-dichloro-ethane; triethylamine; In dichloromethane;

Reference yield: 55.0%

iodobenzene (591-50-4) + 2-butoxyacetic acid (2516-93-0) → phenyl 2-butoxyacetate

Guidance literature:

With palladium(II) trifluoroacetate; 4,7-dimethoxy-1,10-phenanthroline; silver trifluoroacetate; at 150 ℃; for 15h; chemoselective reaction; Schlenk technique; Sealed tube;

DOI:10.1002/adsc.201901136

upstream raw materials:

2-Butoxyethanol

Downstream raw materials:

n-BuOC(H)HCO₂Et

2-butoxymethyl-benzothiazole

1-butoxy-2-methyl-propan-2-ol

2-Butoxy-N-{5-[4-(2-trifluoromethyl benzoyl)piperazin-1-yl][1,3,4]thiadiazol-2-yl}acetamide

Refernces