2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate

Base Information

• Chemical Name: 2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate
• CAS No.: 125700-67-6
• Molecular Formula: C11H16N5O^.BF4
• Molecular Weight: 321.086
• Hs Code.: 2933 99 80
• European Community (EC) Number: 423-040-4,603-087-9
• DSSTox Substance ID: DTXSID50925234
• Mol file: 125700-67-6.mol

Synonyms:(1H-Benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate;Btttfb;Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, tetrafluoroborate(1-);O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate;

Chemical Property of 2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate

Chemical Property:

• Appearance/Colour: white or off-white crystalline powder
• Melting Point: 205°C (dec.)(lit.)
• Flash Point: STABILITY
• PSA: 46.19000
• LogP: 1.34960
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: acetonitrile: 0.1 g/mL, clear
• Water Solubility.: Soluble in acetonitrile (100 mg/ml, clear, colorless), DMF (160.55 mg/ml, clear), and water (3 mg/ml at 20°C).
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 321.1384030
• Heavy Atom Count: 22
• Complexity: 306

Purity/Quality:

98% ^*data from raw suppliers

O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate [Coupling Reagent for Peptide] >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F,E
• Statements: 36/37/38-5-2
• Safety Statements: 26-36-37/39-36/37/39-35

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Triazoles
• Canonical SMILES: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1
• Uses: 2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate is used in the synthesis of tetrapeptoid analogues of the antiprotocoal compound Apicidin (A726300). Also used in the synthesis of acid based t-antigen glycodendrimers. Coupling reagent for peptide synthesis causing low racemization. R. Knorr, A. Trzeciak, W. Bannwarth and D. Gillessen, THL 30, 1927 (1989) Coupling reagent which is ideally suited for solid-phase peptide synthesis.

Technology Process of 2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate

There total 14 articles about 2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate 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: 91.0%

→ O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate (125700-67-6)

Guidance literature:

Reference yield: 91.0%

→ (R)-N-[(4-Amino-3,5-dichlorophenyl) methyl]-N5 -[amino (nitroimino) methyl]-N2 -benzoyl-ornithinamide + O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate (125700-67-6)

Guidance literature:

Reference yield: 88.0%

→ (R)-N-[(4-Amino-3,5-dichlorophenyl) methyl]-N5 -[amino(nitroimino)methyl]-N2 -(3,4-dichlorobenzoyl)-ornithinamide + O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate (125700-67-6)

Guidance literature:

upstream raw materials:

N,N,N',N'-tetramethylchlorformamidinium chloride

1-Hydroxy-1,2,3-benzotriazole potassium salt

tetramethylurea

N-methyl-p-aminophenol

Downstream raw materials:

4-[(3-chloro-4-fluorophenyl)amino]-6-cyclopentylmethoxy-7-(2-{4-[(S)-(2-oxo-tetrahydrofuran-5-yl)carbonyl]-piperazin-1-yl}-ethoxy)-quinazoline

methyl 2-(4-{[4-{[(benzyloxy)(oxo)acetyl]amino}-N-(tert-butoxycarbonyl)-L-phenylalanyl]amino}butoxy)-6-hydroxybenzoate

2-[(4-{2-acetylamino-2-[4-(2-trimethylsilanyl-ethoxycarbonyl)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-tert-butoxyoxalyl-amino]-benzoic acid benzhydryl ester

6-(4-Cyanophenyl)-4-[[trans-4-(methoxycarbonyl)-cyclohexyl]-aminocarbonyl]-2-[(morpholinocarbonyl)-methyl]-(2H)-pyridazin-3-one

Refernces

• 1、 -. "AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM". . . Retrieved 2008/06/13.
• 2、 -. "AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND THEIR USE IN THE TREATMENT OF OBESITY". . . Retrieved 2008/06/13.