Potassium (((tert-butoxycarbonyl)amino)methyl)trifluoroborate

Base Information

• Chemical Name: Potassium (((tert-butoxycarbonyl)amino)methyl)trifluoroborate
• CAS No.: 1314538-55-0
• Molecular Formula: C6H12BF3KNO2
• Molecular Weight: 237.071
• Hs Code.: 2931900090
• European Community (EC) Number: 806-996-0
• Mol file: 1314538-55-0.mol

Synonyms:1314538-55-0;Potassium (((tert-butoxycarbonyl)amino)methyl)trifluoroborate;Potassium N-Boc-aminomethyltrifluoroborate;potassium;trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide;MFCD19686142;Potassium {[(tert-butoxycarbonyl)amino]methyl}trifluoroborate;POTASSIUM ((TERT-BUTOXYCARBONYLAMINO)METHYL)TRIFLUOROBORATE;potassium tert-butyl N-[(trifluoroboranuidyl)methyl]carbamate;Potassium(((tert-butoxycarbonyl)amino)methyl)trifluoroborate;Potassium{[(tert-butoxycarbonyl)amino]methyl}trifluoroborate;Potassium [[(tert-Butoxycarbonyl)amino]methyl]trifluoroborate;Potassium [(Boc-amino)methyl]trifluoroborate;C6H12BF3KNO2;SCHEMBL15661623;WSOSBCPWIQUNLD-UHFFFAOYSA-N;AMY18461;BCP14522;AKOS022183315;CS-W006460;AS-10627;SY071630;P2155;Potassium (N-Boc-aminomethyl)trifluoroborate;F30203;EN300-4263217;A888463;Borate(1-), [[[(1,1-dimethylethoxy)carbonyl]amino]methyl]trifluoro-, potassium (1:1), (T-4)-

Chemical Property of Potassium (((tert-butoxycarbonyl)amino)methyl)trifluoroborate

Chemical Property:

• Melting Point: 181°C(lit.)
• PSA: 41.82000
• LogP: 2.52040
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Water Solubility.: Slightly soluble in water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 237.0550248
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

Potassium [[(tert-Butoxycarbonyl)amino]methyl]trifluoroborate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B-](CNC(=O)OC(C)(C)C)(F)(F)F.[K+]
• Uses: Potassium (((tert-butoxycarbonyl)amino)methyl)trifluoroborate is used in preparation of thienoazepine immunoconjugates for treatment of cancer.

Technology Process of Potassium (((tert-butoxycarbonyl)amino)methyl)trifluoroborate

There total 2 articles about Potassium (((tert-butoxycarbonyl)amino)methyl)trifluoroborate 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:

tert-butyl ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)carbamate → potassium tert-butyl N-[(trifluorolambda-4-boranyl)methyl]carbamate (1314538-55-0)

Guidance literature:

With potassium hydrogen bifluoride; In methanol; water; at 0 - 20 ℃;

DOI:10.1021/ol2014768

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → potassium tert-butyl N-[(trifluorolambda-4-boranyl)methyl]carbamate (1314538-55-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hexamethylsilazane / tetrahydrofuran / 2.25 h / -78 - 20 °C

1.2: 1 h / 0 °C

1.3: 0 - 20 °C

2.1: potassium hydrogen bifluoride / methanol; water / 0 - 20 °C

With potassium hydrogen bifluoride; potassium hexamethylsilazane; In tetrahydrofuran; methanol; water;

DOI:10.1021/ol2014768

Reference yield: 91.0%

potassium tert-butyl N-[(trifluorolambda-4-boranyl)methyl]carbamate (1314538-55-0) + chlorobenzene (108-90-7) → N-tert-butoxycarbonylbenzylamine (42116-44-9)

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; potassium carbonate; In water; toluene; at 85 ℃; for 22h; Inert atmosphere;

DOI:10.1021/ol2014768

upstream raw materials:

di-tert-butyl dicarbonate

Downstream raw materials:

tert-butyl N-(thiophen-2-ylmethyl)carbamate

2-[N-(tert-butoxycarbonyl)aminomethyl]pyridine

tert-butyl N-[(4-cyanophenyl)methyl]carbamate

tert-butyl ((5-formylthiophen-2-yl)methyl)carbamate