O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

Base Information

• Chemical Name: O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
• CAS No.: 148893-10-1
• Deprecated CAS: 190849-61-7,199532-36-0
• Molecular Formula: C10H15F6N6OP
• Molecular Weight: 380.233
• Hs Code.: 29339999
• European Community (EC) Number: 604-662-7
• UNII: B93RIH1T7E
• DSSTox Substance ID: DTXSID30933498
• Wikipedia: HATU
• Mol file: 148893-10-1.mol

Synonyms:N-((1H-1,2,3-triazolo-(4,5-b)pyridin-1-yloxy)(dimethylamino)methylene)N-methylmethanaminium hexafluorophosphate;O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate;O-(7-azabenzotriazol-1-yl)-N,N,N;,N'-tetramethyluronium hexafluorophosphate;O-HATU cpd

Chemical Property of O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

Chemical Property:

• Appearance/Colour: White crystalline to off-white powder
• Melting Point: 183-185 °C
• Boiling Point: 176 °C at 760mmHg
• PSA: 72.67000
• LogP: 2.82700
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in acetonitrile. Insoluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 380.09491509
• Heavy Atom Count: 24
• Complexity: 364

Purity/Quality:

99.5% HPLC, ^*data from raw suppliers

HATU ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn,E
• Statements: 36/37/38-20/21/22-2
• Safety Statements: 26-37/39-36/37-36-35

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C(=[N+](C)C)N1C2=C(N=CC=C2)[N+](=N1)[O-].F[P-](F)(F)(F)(F)F
• Uses: HATU is a peptide coupling reagent. HATU is a coupling reagent and used as an additive in peptide synthesis. It is also involved efficiently to speed up the coupling process and reduces the loss of chiral integrity. Reagent for: Synthesis of Aurora A kinase inhibitors HPLC assay to determine D- and L- acid enantiomers in human plasma Amide bond formation reactionsCatalyst for: Selective acylation Selecocyclization-oxidation deselenation sequence

Technology Process of O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

There total 2 articles about O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 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:

→ (2R)-2-(methoxycarbonyl amino)-3-methylbutanoic acid (111398-44-8) + N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate (148893-10-1)

Guidance literature:

Reference yield:

→ tetrabutylammonium salt + HATU (200731-31-3,148893-10-1)

Guidance literature:

Reference yield: 91.0%

4-chloro-2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-1,2,2’,3’,5’,6’-hexahydrospiro[indole-3,4’-thiopyran]-5-carboxylic acid 1‘,1‘-dioxide + N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate (148893-10-1) → 4-chloro-2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-5-[(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)carbonyl]-1,2,2’,3’,5’,6’-hexahydrospiro[indole-3,4’-thiopyran]-1‘,1‘-dioxide

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

Downstream raw materials:

Z-Aib-OAt

O-(2'-deoxycytidine 5'-O-phosphor-5'-P-yl)-7-azabenzotriazole

1-hydroxy-7-aza-benzotriazole

Refernces

• 1、 -. "Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use". . . Retrieved 2008/06/13.