1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine

Base Information

• Chemical Name: 1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine
• CAS No.: 207857-15-6
• Molecular Formula: C12H20 F3 N3 O6 S
• Molecular Weight: 391.369
• Hs Code.: 2935009090
• European Community (EC) Number: 627-920-0
• DSSTox Substance ID: DTXSID30395153
• Nikkaji Number: J974.221B
• Mol file: 207857-15-6.mol

Synonyms:1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine;207857-15-6;tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;Goodman's Reagent;MFCD02683528;1,3-Bis(tert-butoxycarbonyl)-2-(trifluoromethylsulfonyl)guanidine;N,N'-Bis(tert-butoxycarboyl)-N''-trifylguanidine;1,3-Bis(tert-butoxycarbonyl)-2-(trifluoromethanesulfonyl)guanidine;tert-butyl N-({[(tert-butoxy)carbonyl]amino}(trifluoromethanesulfonylimino)methyl)carbamate;N,N'-DI-BOC-N''-TRIFLYLGUANIDINE;2-Bromopropiomyl bromide;SCHEMBL446590;SCHEMBL14821790;DTXSID30395153;BCP08347;N,N'-Di-boc-N''-triflyl guanidine;AKOS015901900;CS-W004839;DS-4831;AC-25320;AM803491;SY066107;A4523;B3625;BB 0263174;FT-0697044;1,3-diboc-2-(trifluoromethylsulfonyl)guanidine;1,3-diBoc-2-(trifluoromethanesulfonyl)guanidine;1,3-Di-Boc-2-(trifluoromethanesulfonyl)guanidine;1,3-di-Boc-2-(trifluoromethylsulfonyl)-guanidine;N,N'-di-Boc-N''-trifluoromethanesulfonylguanidine;J-013627;N,N'-bis(tert-butoxycarbonyl)-N''-triflylguanidine;1,3-bis(tert-butoxycarbonyl)-2-trifluoromethanesulfonylguanidine;1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine, >=95.0% (HPLC);Tert-Butyl N-[N-tert-butoxycarbonyl-N'-(trifluoromethylsulfonyl);di-tert-butyl ({[(trifluoromethyl)sulfonyl]imino}-methylene)biscarbamate;di-tert-butyl ({[(trifluoromethyl)sulfonyl]imino}methylene)-biscarbamate;di-tert-butyl ({[(trifluoromethyl)sulfonyl]imino}methylene)biscarbamate;N,N'-di(tertbutyloxycarbonyl)-N''-(trifluoromethylsulphonyl)guanidine;tert-Butyl [(tert-Butoxycarbonyl)amino]{[(trifluoromethyl)-sulfonyl]imino}methylcarbamate;tert-butyl[[(tert-butoxycarbonyl)amino]{[(trifluoromethyl)sulfonyl]amino}methylidene]carbamate

Chemical Property of 1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine

Chemical Property:

• Melting Point: 113oC (dec.)(lit.)
• PKA: -4.76±0.40(Predicted)
• PSA: 131.54000
• Density: 1.36
• LogP: 4.10400
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Acetonitrile, Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 391.10249103
• Heavy Atom Count: 25
• Complexity: 607

Purity/Quality:

95%, ^*data from raw suppliers

1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine(~90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C
• Uses: 1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine is a guanidinylation reagent for amines and peptides.