Tris(2,2,2-trifluoroethyl) borate

Base Information

• Chemical Name: Tris(2,2,2-trifluoroethyl) borate
• CAS No.: 659-18-7
• Molecular Formula: C6H6BF9O3
• Molecular Weight: 307.908
• Hs Code.: 2920909090
• European Community (EC) Number: 689-073-3
• DSSTox Substance ID: DTXSID60394033
• Nikkaji Number: J984.764B
• Wikipedia: Tris(2,2,2-trifluoroethyl)_borate
• Wikidata: Q28457468
• Mol file: 659-18-7.mol

Synonyms:tris(2,2,2-trifluoroethyl)borate

Chemical Property of Tris(2,2,2-trifluoroethyl) borate

Chemical Property:

• Vapor Pressure: 54.3mmHg at 25°C
• Refractive Index: n/D1.298(lit.)
• Boiling Point: 94.3°C at 760 mmHg
• Flash Point: 10.8°C
• PSA: 27.69000
• Density: 1.430 g/mL at 25 °C
• LogP: 2.70800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 308.0266277
• Heavy Atom Count: 19
• Complexity: 217

Purity/Quality:

99%, ^*data from raw suppliers

Tris(2,2,2-trifluoroethyl) borate ^*data from reagent suppliers

Safty Information:

• Statements: 10

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
• Uses: TRIS(2,2,2-TRIFLUOROETHYL) BORATE is a selective beta1 adrenergic receptor blocker used in the treatment of hypertension and glaucoma. Reagent can promote the direct formation of amides from carboxylic acids and amines under thermal and microwave conditions.

Technology Process of Tris(2,2,2-trifluoroethyl) borate

There total 5 articles about Tris(2,2,2-trifluoroethyl) borate 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: 90.0%

2,2,2-trifluoroethanol (75-89-8) → tris(2,2,2-trifluoroethyl) borate (659-18-7)

Guidance literature:

With boron tribromide; at -78 - 70 ℃; Inert atmosphere; Neat (no solvent);

DOI:10.1039/c0ob01069c

Reference yield: 44.0%

boron trioxide + 2,2,2-trifluoroethanol (75-89-8) → tris(2,2,2-trifluoroethyl) borate (659-18-7)

Guidance literature:

at 80 ℃; for 24h; under 760.051 Torr;

DOI:10.1039/c6cc05147b

Reference yield: 36.0%

2,2,2-trifluoroethanol (75-89-8) + boron trichloride (10294-34-5) → tris(2,2,2-trifluoroethyl) borate (659-18-7)

Guidance literature:

With n-butyllithium; In diethyl ether; 0°C, allowing to warm to room temp. after addn. of OHCH2CF3 and n-C4H9Li, stirring for 1 h, recooling to -78°C, addn. of BCl3, molar ratio of C6H5BCl2:OHCH2CF3:n-C4H9Li=1:3:3, stirring overnight;

upstream raw materials:

2,2,2-trifluoroethanol

boron trichloride

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