Borazine, 1,3,5-trimethyl-

Base Information

• Chemical Name: Borazine, 1,3,5-trimethyl-
• CAS No.: 1004-35-9
• Molecular Formula: C3H12B3N3
• Molecular Weight: 122.581
• European Community (EC) Number: 690-848-3
• UNII: 8TA5Q6XG3S
• DSSTox Substance ID: DTXSID5073246
• Wikidata: Q72513975
• Mol file: 1004-35-9.mol

Synonyms:Borazine, 1,3,5-trimethyl-;1004-35-9;1,3,5-Trimethylborazine;N,N',N''-Trimethylborazine;Borazine,1,3,5-trimethyl-;1,3,5-Trimethylborazin;8TA5Q6XG3S;SCHEMBL2204580;DTXSID5073246;SIJDQNVSAGQBND-UHFFFAOYSA-N;AKOS006287596

Chemical Property of Borazine, 1,3,5-trimethyl-

Chemical Property:

• Melting Point: 235-245℃
• Refractive Index: 1.4404 (20℃)
• Boiling Point: 100.2 °C at 760 mmHg
• PKA: -3.89±0.20(Predicted)
• Flash Point: 14.4 °C
• PSA: 9.72000
• LogP: -2.59140
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 120.1075628
• Heavy Atom Count: 9
• Complexity: 69.3

Purity/Quality:

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

N,N',N''-TRIMETHYLBORAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Metals -> Metalloid Compounds (Boron)
• Canonical SMILES: [B]1N([B]N([B]N1C)C)C

Technology Process of Borazine, 1,3,5-trimethyl-

There total 53 articles about Borazine, 1,3,5-trimethyl- 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%

lithium borohydride + methylamine hydrochloride (593-51-1) → 1,3,5-trimethyl-cyclotriborazane (1004-35-9)

Guidance literature:

DOI:10.1021/ja01609a012

Reference yield: 89.0%

sodium tetrahydroborate (16940-66-2) + methylamine hydrochloride (593-51-1) → 1,3,5-trimethyl-cyclotriborazane (1004-35-9)

Guidance literature:

methylamine hydrochloride; In Triethylene glycol dimethyl ether; at 150 ℃; Inert atmosphere; Large scale;

sodium tetrahydroborate; In Triethylene glycol dimethyl ether; for 2h; Large scale;

Reference yield: 82.0%

methylamine borane → 1,3,5-trimethyl-cyclotriborazane (1004-35-9)

Guidance literature:

In further solvent(s); byproducts: H2; introduction of MeNH2*BH3 and tetraglyme under N2 into flask; heating to120°C for 30 min; heating at this temp. for 1 h; heating at 200. degree.C for 1 h; distn. in vac.;

DOI:10.1016/j.jorganchem.2006.08.024

upstream raw materials:

methylamine hydrochloride

methylamine

ammonia

methyldisilylamine

Downstream raw materials:

1,3,5-Trimethyl-2,4,6-triphenyl-borazin

methylamine hydrochloride

B-cyclohexylmethyl-N,N'N''-trimethylborazine

boric acid

Refernces

• 1、 Turbini et al.. "". . p. 1129,1130-1132. Retrieved 1975.
• 2、 Kakizawa, Taeko,Kawano, Yasuro,Naganeyama, Kohsuke,Shimoi, Mamoru. "Dehydrocoupling reactions of secondary and primary amine-borane adducts catalyzed by half-sandwich carbonyl complexes, [CpMn(CO)3], [(η6-C6H6)Cr(CO)3], and [CpV(CO)4]". . p. 171 - 173. Retrieved 2011.
• 3、 Gaines,Schaeffer. "". . p. 395. Retrieved 1963.
• 4、 Vance, James R.,Robertson, Alasdair P. M.,Lee, Kajin,Manners, Ian. "Photoactivated, iron-catalyzed dehydrocoupling of amine-borane adducts: Formation of boron-nitrogen oligomers and polymers". . p. 4099 - 4103. Retrieved 2011.
• 5、 Beachley Jr.. "Possible intermediates in the formation of 1,3,5-trimethylborazine". . p. 701 - 703. Retrieved 1968.
• 6、 Jaska, Cory A.,Temple, Karen,Lough, Alan J.,Manners, Ian. "Catalytic dehydrocoupling of amine-borane adducts to form aminoboranes and borazines". . p. 733 - 736. Retrieved 2004.
• 7、 Chen, Gang,Zakharov, Lev N.,Bowden, Mark E.,Karkamkar, Abhijeet J.,Whittemore, Sean M.,Garner, Edward B.,Mikulas, Tanya C.,Dixon, David A.,Autrey, Tom,Liu, Shih-Yuan. "Bis-BN cyclohexane: A remarkably kinetically stable chemical hydrogen storage material". . p. 134 - 137. Retrieved 2015.
• 8、 Bramlett,Tabereaux Jr.. "The N-methyl derivatives of borazine". . p. 978 - 979. Retrieved 1970.
• 9、 Bonham,Drago. "". . p. 8,10,11. Retrieved 1967.
• 10、 -. "Method of manufacturing Alkylborazine-N". Paragraph 0052; 0053; 0056; 0057; 0060. . Retrieved 2017/04/05.