Tetraacetyl diborate

Base Information

• Chemical Name: Tetraacetyl diborate
• CAS No.: 5187-37-1
• Molecular Formula: C8H12B2O9
• Molecular Weight: 273.8
• DSSTox Substance ID: DTXSID80416100
• Nikkaji Number: J1.661.822E
• Wikipedia: Tetraacetyl diborate
• Wikidata: Q82225268
• Mol file: 5187-37-1.mol

Synonyms:Tetraacetyl diborate;5187-37-1;[acetyloxy(diacetyloxyboranyloxy)boranyl] acetate;Tetraacetoxy diboroxane, 97%;SCHEMBL9452576;DTXSID80416100;Acetic acid, tetraanhydride with boric acid (H4B2O5);1,3-Dibora-2-oxapropane-1,1,3,3-tetrol tetraacetate;InChI=1/C8H12B2O9/c1-5(11)15-9(16-6(2)12)19-10(17-7(3)13)18-8(4)14/h1-4H

Chemical Property of Tetraacetyl diborate

Chemical Property:

• Melting Point: 147-150°C
• Boiling Point: 285.5±23.0 °C(Predicted)
• PSA: 114.43000
• Density: 1.218±0.06 g/cm3(Predicted)
• LogP: -0.77480
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 274.0667423
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tetraacetoxy diboroxane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: B(OB(OC(=O)C)OC(=O)C)(OC(=O)C)OC(=O)C

Technology Process of Tetraacetyl diborate

There total 3 articles about Tetraacetyl diborate 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:

acetic anhydride (108-24-7) → triacetoxyborane (4887-24-5) + tetraacetyl diborate (5187-37-1)

Guidance literature:

With boric acid;

Reference yield:

acetic anhydride (108-24-7) + boron trichloride (10294-34-5) → tetraacetyl diborate (5187-37-1) + acetyl chloride (75-36-5)

Guidance literature:

dropping of BCl3 to acetic acid anhydride in cooling;

Reference yield:

(2-chloro-2-phenylvinyl)dichloroborane (92705-18-5) + acetic acid (64-19-7,77671-22-8) → tetraacetyl diborate (5187-37-1) + 1-chlorostyrene (618-34-8)

Guidance literature:

With water; In Petroleum ether; byproducts: HCl; protolysis at 30-40°C;

DOI:10.1016/S0022-328X(00)80030-3

upstream raw materials:

acetic anhydride

boron trichloride

(2-chloro-2-phenylvinyl)dichloroborane

acetic acid

Downstream raw materials:

2-acetamidoanthraquinone

Na⁽¹⁺⁾*(O(CO)CH₃)^(1-)*B₂O(O(CO)CH₃)4=NaO(CO)CH₃*B₂O(O(CO)CH₃)4

(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl bis((1S,2S,5R)-2-isopropyl-5-methylcyclohexyl) borate (trimenthyl borate)

oxy-bis(acetatoborane)bis(4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-5H-pyrazolonato O'O')