TRIETHANOLAMINE BORATE

Base Information

• Chemical Name: TRIETHANOLAMINE BORATE
• CAS No.: 283-56-7
• Deprecated CAS: 132901-21-4
• Molecular Formula: C6H12BNO3
• Molecular Weight: 156.977
• Hs Code.: 29163990
• European Community (EC) Number: 206-003-5
• NSC Number: 5220
• UNII: 2N1AHN0X56
• DSSTox Substance ID: DTXSID8065874
• Nikkaji Number: J25F
• Wikidata: Q27255042
• Mol file: 283-56-7.mol

Synonyms:Ethanol,2,2',2''-nitrilotri-, borate (6CI);Ethanol, 2,2',2''-nitrilotri-, cyclicborate (7CI);Ethanol, 2,2',2''-nitrilotri-, cyclic ester with boric acid(H3BO3) (1:1) (8CI);Atracor T;Boratran;Boratrane;Boron,[[2,2',2''-nitrilotris[ethanolato]](3-)]-;Ethanol, 2,2',2''-nitrilotris-,cyclic ester with boric acid (H3BO3) (1:1);NSC 5220;Triethanolamine borate;

Chemical Property of TRIETHANOLAMINE BORATE

Chemical Property:

• Appearance/Colour: White
• Melting Point: 235-237 °C(lit.)
• Boiling Point: 149.6 °C at 760 mmHg
• PKA: 6.40±0.20(Predicted)
• Flash Point: 44.3 °C
• PSA: 30.93000
• Density: 1.13 g/cm³
• LogP: -0.71180
• Storage Temp.: Room Temperature, under inert atmosphere
• Solubility.: slightly soluble in acetone, benzene
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 157.0910234
• Heavy Atom Count: 11
• Complexity: 111

Purity/Quality:

99% ^*data from raw suppliers

Triethanolamine Borate >95.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: B12OCCN(CCO1)CCO2
• Uses: Triethanolamine Borate is an intermediate in the synthesis of Silatrane (S433000) which can be used as a reversible cholinesterase inhibitor. Silatrane and its derivatives can also be used as antitumor agents.

Technology Process of TRIETHANOLAMINE BORATE

There total 7 articles about TRIETHANOLAMINE 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: 89.0%

triethanolamine (102-71-6,64114-46-1) → 2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane (283-56-7)

Guidance literature:

With boric acid; In 5,5-dimethyl-1,3-cyclohexadiene; Reflux; Inert atmosphere;

DOI:10.1021/jo1017734

Reference yield: 87.7%

Trimethyl borate (121-43-7,63156-11-6) + triethanolamine (102-71-6,64114-46-1) → 2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane (283-56-7)

Guidance literature:

In toluene; for 1h; Reflux; Inert atmosphere; Large scale;

Reference yield: 85.9%

triethyl borate (150-46-9) + triethanolamine (102-71-6,64114-46-1) → 2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane (283-56-7)

Guidance literature:

In toluene; for 1h; Reflux;

upstream raw materials:

triethanolamine

water

metaboric acid

boric acid

Downstream raw materials:

2-thienylsilatrane

1-ethoxysilatrane

1-furan-2-yl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane

1-phenyl-2,8,9-trioxa-5-aza-1-silabicyclo{3.3.3}undecane

Refernces

• 1、 Varjosaari, Sami E.,Skrypai, Vladislav,Suating, Paolo,Hurley, Joseph J. M.,Gilbert, Thomas M.,Adler, Marc J.. "1-Hydrosilatrane: A Locomotive for Efficient Ketone Reductions". supporting information. p. 229 - 232. Retrieved 2017/01/24.
• 2、 Junker, Christopher S.,Welker, Mark E.,Day, Cynthia S.. "Synthesis of 4-aryl- and 4-alkyl-2-silyl-1,3-butadienes and their Diels-Alder/cross-coupling reactions". scheme or table. p. 8155 - 8165. Retrieved 2011/03/18.