Butyl trifluoroacetate

Base Information

• Chemical Name: Butyl trifluoroacetate
• CAS No.: 367-64-6
• Molecular Formula: C6H9F3O2
• Molecular Weight: 170.131
• Hs Code.: 2915907098
• European Community (EC) Number: 206-699-0
• NSC Number: 77658
• DSSTox Substance ID: DTXSID70190149
• Nikkaji Number: J96.540E
• Wikidata: Q83062431
• Mol file: 367-64-6.mol

Synonyms:n-Butyl trifluoroacetate;Butyl trifluoroacetate;367-64-6;butyl 2,2,2-trifluoroacetate;1-butyl trifluoroacetate;n-butyltrifluoroacetate;C6H9F3O2;EINECS 206-699-0;Trifluoroacetic acid butyl ester;But-1-yl trifluoroacetat;1-Butanol, trifluoroacetate;NCIOpen2_000808;CF3CO2(n-C4H9);SCHEMBL196154;trifluoro-acetic acid butyl ester;DTXSID70190149;C6-H9-F3-O2;NSC77658;Trifluoroacetic acid, n-butyl ester;MFCD00039234;NSC 77658;NSC-77658;Acetic acid, trifluoro-, butyl ester;AKOS006223452;butyl 2,2,2-tris(fluoranyl)ethanoate;FS-4030;2,2,2-trifluoroacetic acid butyl ester;CS-0361227;FT-0632051;A823359

Chemical Property of Butyl trifluoroacetate

Chemical Property:

• Refractive Index: 1.353
• Boiling Point: 100.7 °C at 760 mmHg
• Flash Point: 15 °C
• PSA: 26.30000
• Density: 1.153 g/cm³
• LogP: 1.89200
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 170.05546401
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99%, ^*data from raw suppliers

n-ButylTrifluoroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 16-23-45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Esters
• Canonical SMILES: CCCCOC(=O)C(F)(F)F

Technology Process of Butyl trifluoroacetate

There total 23 articles about Butyl trifluoroacetate 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: 100.0%

trifluoroacetic acid (76-05-1) + butan-1-ol (71-36-3) → n-butyl trifluoroacetate (367-64-6)

Guidance literature:

for 24h;

DOI:10.1021/jo00346a036

Reference yield: 76.0%

(furan-2-yloxy)-trimethylsilane (61550-02-5) + silver trifluoroacetate (2966-50-9) → 5-butylfuran-2(5H)-one (30336-14-2,70404-04-5) + n-butyl trifluoroacetate (367-64-6) + 2-buten-4-olide (497-23-4) + 3-butylfuran-2(3H)-one (124083-30-3)

Guidance literature:

With 1-iodo-butane; In dichloromethane; Further byproducts given. Title compound not separated from byproducts; 1.) -78 deg C, 2.) to 10 deg C, 4 h;

DOI:10.1002/hlca.19890720625

Reference yield: 76.0%

1-iodo-butane (542-69-8) + (furan-2-yloxy)-trimethylsilane (61550-02-5) + silver trifluoroacetate (2966-50-9) → 5-butylfuran-2(5H)-one (30336-14-2,70404-04-5) + n-butyl trifluoroacetate (367-64-6) + 4-oxo-octanoic acid butyl ester (18688-70-5) + 3-butylfuran-2(3H)-one (124083-30-3)

Guidance literature:

In dichloromethane; Further byproducts given. Title compound not separated from byproducts; 1.) -78 deg C, 2.) to 10 deg C, 4 h;

DOI:10.1002/hlca.19890720625

upstream raw materials:

butyl nitrate

trifluoroacetic acid

trifluoroacetic anhydride

butan-1-ol

Downstream raw materials:

n-butylazide

dibutyl ether

2,2,2-trifluoroethanol

butan-1-ol

Refernces

• 1、 Wagner, Anna M.,Sanford, Melanie S.. "Transition-metal-free acid-mediated synthesis of aryl sulfides from thiols and thioethers". . p. 2263 - 2267. Retrieved 2014/04/03.
• 2、 Chepaikin,Bezruchenko,Menchikova,Moiseeva,Gekhman. "Catalytic oxidation of hydrocarbons of natural and oil gas". experimental part. p. 332 - 337. Retrieved 2011/04/26.