Tri-o-tolyl Borate

Base Information

• Chemical Name: Tri-o-tolyl Borate
• CAS No.: 2665-12-5
• Molecular Formula: C21H21 B O3
• Molecular Weight: 332.207
• European Community (EC) Number: 247-538-4,664-339-1
• NSC Number: 807
• UNII: KAK6M643K3
• DSSTox Substance ID: DTXSID10949113
• Nikkaji Number: J42.800K
• Wikidata: Q82926954
• Mol file: 2665-12-5.mol

Synonyms:Tri-o-tolyl Borate;2665-12-5;tris(2-methylphenyl) borate;Tri-o-cresyl borate;Boric Acid Tri-o-tolyl Ester;Tricresyl borate;Boric acid, tri-o-cresyl ester;BORICACIDTRI-O-TOLYLESTER;Boric acid (H3BO3), tri-o-tolyl ester;26248-41-9;o-Tolyl borate, (C7H7O)3 B;Boric acid (H3BO3), tris(2-methylphenyl) ester;KAK6M643K3;Boric acid (H3BO3), tris(methylphenyl) ester;NSC 807;NSC-807;EINECS 247-538-4;BRN 2012127;tris(2-methylphenoxy)borane;tritolyl borate;trio-tolyl borate;UNII-KAK6M643K3;SCHEMBL717122;Boric Acid Tri-o-cresyl Ester;NSC807;DTXSID10949113;CAA66512;WLN: 1R BOBOR B1&OR B1;MFCD00059311;AKOS015833586;Boric acid, tris(2-methylphenyl) ester;LS-45035;B0519;D88663;4-06-00-01983 (Beilstein Handbook Reference)

Chemical Property of Tri-o-tolyl Borate

Chemical Property:

• Refractive Index: 1.5550-1.5590
• Boiling Point: 395.4 °C at 760 mmHg
• Flash Point: 137.7 °C
• PSA: 27.69000
• Density: 1.091 g/cm³
• LogP: 5.13350
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 332.1583747
• Heavy Atom Count: 25
• Complexity: 334

Purity/Quality:

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

Tri-o-tolyl Borate >98.0%(T) ^*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(OC1=CC=CC=C1C)(OC2=CC=CC=C2C)OC3=CC=CC=C3C

Technology Process of Tri-o-tolyl Borate

There total 3 articles about Tri-o-tolyl 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:

ortho-cresol (95-48-7,77504-84-8) → tris(2-methylphenyl) borate (2665-12-5)

Guidance literature:

With boric acid; toluene; unter Entfernen des entstehenden H₂O;

DOI:10.1021/ie50566a023

Reference yield:

boric acid (11113-50-1,14635-83-7) + ortho-cresol (95-48-7,77504-84-8) → tris(2-methylphenyl) borate (2665-12-5)

Guidance literature:

In toluene; byproducts: H2O; azeotropic removal of H2O in refluxing toluene;

DOI:10.1021/om00079a008

Reference yield:

→ tris(2-methylphenyl) borate (2665-12-5)

Guidance literature:

o-Kresol, Borsaeure;

upstream raw materials:

ortho-cresol

boric acid

Downstream raw materials:

(s-C₄H₉)2BOC₆H₄-2-CH₃

(i-C₄H₉)2BO(C₆H₄-2-CH₃)

(cyclo-C₅H₁₁)2B(O-C₆H₄-2-CH₃)

2-(2-methylphenoxy)-2-phenylethanol

Refernces

• 1、 Tolman,Seidel,Druliner,Domaille. "Catalytic hydrocyanation of olefins by nickel(0) phosphite complexes - Effects of Lewis acids". . p. 33 - 38. Retrieved 2008/10/08.