3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane

Base Information

• Chemical Name: 3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
• CAS No.: 101-00-8
• Molecular Formula: C₉H₁₈BNO₃
• Molecular Weight: 199.058
• Hs Code.: 2920.90
• European Community (EC) Number: 811-143-0
• NSC Number: 15099
• DSSTox Substance ID: DTXSID50905879
• Nikkaji Number: J542.518B
• Mol file: 101-00-8.mol

Synonyms:101-00-8;Triisopropanolamine cyclic borate;3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane;Triisopropanolamine borate;Borester 21;NSC 15099;BORIC ACID, TRIS(1-AMINO-2-PROPYL) ESTER;AI3-61110;NSC15099;2-Propanol, 1,1',1''-nitrilotri-, cyclic borate;2-Propanol, 1,1',1''-nitrilotri-, borate;2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane, 3,7,10-trimethyl-;2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl-;2-Propanol, 1,1',1''-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1);2-Propanol, 1,1',1''-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1) (VAN);MFCD03791298;C9H24BN3O3;DTXSID50905879;C9-H18-B-N-O3;3,7,10-trimethyl-4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane;NSC-15099;WLN: Z1Y1&OBOY1Z1&OY1Z1;AKOS006229267;AS-72042;LS-45047;CS-0015223;FT-0645346;T2943;2-Propanol,1',1''-nitrilotri-, cyclic borate;D92646;A897267;J-200318;2-Propanol, 1,1',1''-nitrilotri-, borate (6CI);2,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl-;2-Propanol,1',1''-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1);27664-53-5

Chemical Property of 3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane

Chemical Property:

• Appearance/Colour: white to light yellow crystalline chunks
• Vapor Pressure: 0.403mmHg at 25°C
• Melting Point: 150 °C
• Refractive Index: 1.4100
• Boiling Point: 196.2 °C at 760 mmHg
• PKA: 6.52±0.70(Predicted)
• Flash Point: 72.5 °C
• PSA: 30.93000
• Density: 1.05 g/cm³
• LogP: 0.45370
• Solubility.: soluble in Acetone
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 199.1379736
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

Triisopropanolamine Borate >98.0%(N) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B12OC(CN(CC(O1)C)CC(O2)C)C

Technology Process of 3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane

There total 3 articles about 3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane 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:

triisopropanolamine (122-20-3) → Triisopropylamin-borat (101-00-8)

Guidance literature:

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

DOI:10.1021/ie50566a023

Reference yield:

triisopropanolamine (122-20-3) + boric acid (11113-50-1,14635-83-7) → Triisopropylamin-borat (101-00-8)

Guidance literature:

In not given; azeotropic distn. (reflux); crystn., elem. anal.;

Reference yield:

→ Triisopropylamin-borat (101-00-8)

Guidance literature:

Aus Tri-iso-propanol-amin + H3BO4 in Toluol;

upstream raw materials:

triisopropanolamine

boric acid

Downstream raw materials:

3,7,10-Trimethylsilatran