Trimethoxyboroxine

Base Information

• Chemical Name: Trimethoxyboroxine
• CAS No.: 102-24-9
• Molecular Formula: C3H9 B3 O6
• Molecular Weight: 173.534
• Hs Code.: 29209085
• European Community (EC) Number: 203-016-8
• NSC Number: 56370
• DSSTox Substance ID: DTXSID6051514
• Nikkaji Number: J52.361E
• Wikidata: Q55524855
• Mol file: 102-24-9.mol

Synonyms:Trimethoxyboroxine;102-24-9;Trimethoxyboroxin;Boroxin, trimethoxy-;2,4,6-trimethoxy-1,3,5,2,4,6-trioxatriborinane;Trimethoxycyclotriboroxane;2,4,6-Trimethoxyboroxin;Boroxin, 2,4,6-trimethoxy-;Triboron trimethyl hexaoxide;Boric acid (H3B3O6), trimethyl ester;EINECS 203-016-8;NSC 56370;BRN 1709158;AI3-51844;EC 203-016-8;4-01-00-01272 (Beilstein Handbook Reference);C3H9B3O6;trimethoxy boroxin;trimethoxy-1,3,5,2,4,6-trioxatriborinane;Trimethoxyboroxine, 95%;2,4,6-Trimethoxyboroxin #;SCHEMBL109631;DTXSID6051514;C3-H9-B3-O6;NSC56370;MFCD00005946;NSC-56370;AKOS015850879;LS-45160;FT-0754653;T1581;D97649;J-507079;F0001-0067

Chemical Property of Trimethoxyboroxine

Chemical Property:

• Appearance/Colour: colorless not quite clear liquid
• Vapor Pressure: 30 mm Hg ( 25 °C)
• Melting Point: 10 °C(lit.)
• Refractive Index: n20/D 1.4(lit.)
• Boiling Point: 130 °C(lit.)
• Flash Point: 14 ºC
• PSA: 55.38000
• Density: 1.216
• LogP: -1.05630
• Storage Temp.: Flammables area
• Sensitive.: Air & Moisture Sensitive
• Water Solubility.: reacts
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 174.0678285
• Heavy Atom Count: 12
• Complexity: 99.4

Purity/Quality:

99.9% ^*data from raw suppliers

2,4,6-Trimethoxyboroxin ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C,Xi
• Statements: 11-34-41-38
• Safety Statements: 9-16-26-33-36/37/39-45-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Metals -> Metalloid Compounds (Boron)
• Canonical SMILES: B1(OB(OB(O1)OC)OC)OC
• Uses: Metal-fire extinguishing fluid. It can be used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of Trimethoxyboroxine

There total 19 articles about Trimethoxyboroxine 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: 87.0%

carbon dioxide (124-38-9,18923-20-1) + 0.95C4H11BO*0.05Na(1+)*0.05BH4(1-) → cyclotriboric acid trimethyl ester (102-24-9)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1021/om5008488

Reference yield: 83.0%

borane-THF (14044-65-6) + carbon dioxide (124-38-9,18923-20-1) → cyclotriboric acid trimethyl ester (102-24-9)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; for 12h; Reagent/catalyst; Schlenk technique; Inert atmosphere;

DOI:10.1021/om5008488

Reference yield: 80.0%

dimethylsulfide borane complex (13292-87-0) + carbon dioxide (1111-72-4) → cyclotriboric acid trimethyl ester (102-24-9)

Guidance literature:

With C₂₇H₅₃BN₂P₂; at 60 ℃; for 11h; under 3800.26 Torr; Reagent/catalyst; Inert atmosphere;

DOI:10.1002/chem.201304870

upstream raw materials:

Trimethyl borate

chlorodimethoxyborane

water

formic acid

Downstream raw materials:

triethyl borane

2-(bis-biphenyl-4-yl-boranyloxy)-ethylamine

tripropylborane

diphenylborinic acid

Refernces

• 1、 Goubeau,Keller. "". . p. 1,18. Retrieved 1952.
• 2、 Ramos, Alberto,Anti?olo, Antonio,Carrillo-Hermosilla, Fernando,Fernández-Galán, Rafael. "Ph2PCH2CH2B(C8H14) and Its Formaldehyde Adduct as Catalysts for the Reduction of CO2with Hydroboranes". . p. 9998 - 10012. Retrieved 2020.
• 3、 Ho, Samuel Y.-F.,So, Cheuk-Wai,Saffon-Merceron, Nathalie,Mzailles, Nicolas. "Formation of a zwitterionic boronium species from the reaction of a stable carbenoid with borane: CO2 reduction". . p. 2107 - 2110. Retrieved 2015.
• 4、 Leong, Bi-Xiang,Lee, Jiawen,Li, Yan,Yang, Ming-Chung,Siu, Chi-Kit,Su, Ming-Der,So, Cheuk-Wai. "A Versatile NHC-Parent Silyliumylidene Cation for Catalytic Chemo- And Regioselective Hydroboration". . p. 17629 - 17636. Retrieved 2019.
• 5、 Légaré, Marc-André,Courtemanche, Marc-André,Fontaine, Frédéric-Georges. "Lewis base activation of borane-dimethylsulfide into strongly reducing ion pairs for the transformation of carbon dioxide to methoxyboranes". . p. 11362 - 11365. Retrieved 2014.
• 6、 Dagorne, Samuel,Dos Santos, Jo?o H. Z.,Jacques, Béatrice,López, Carlos Silva,Nieto Faza, Olalla,Schrekker, Henri S.,Sokolovicz, Yuri C. A.,Specklin, David. "Acetate-catalyzed hydroboration of CO2 for the selective formation of methanol-equivalent products". . p. 2407 - 2414. Retrieved 2020/05/13.