Description

1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine (CAS No. 207857-15-6) is a high-purity, specialized chemical reagent designed for advanced synthetic applications in organic and medicinal chemistry. With the molecular formula C₁₂H₂₀F₃N₃O₆S and IUPAC name tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N’-(trifluoromethylsulfonyl)carbamimidoyl]carbamate, this compound features dual Boc (tert-butoxycarbonyl) protecting groups and a reactive trifluoromethylsulfonyl (triflyl) moiety. It is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring optimal performance in nucleophilic substitution, peptide coupling, and heterocycle synthesis. Ideal for researchers developing pharmaceuticals, agrochemicals, or functional materials, this reagent is rigorously tested for consistency and stored under controlled conditions to guarantee stability. Available in quantities from milligrams to kilograms, with optional custom packaging and purity upgrades.

Properties

• CAS Number: 207857-15-6
• Complexity: 607
• IUPAC Name: tert-butyl N-[N-tert-butoxycarbonyl-N’-(trifluoromethylsulfonyl)carbamimidoyl]carbamate
• InChI: InChI=1S/C12H20F3N3O6S/c1-10(2,3)23-8(19)16-7(17-9(20)24-11(4,5)6)18-25(21,22)12(13,14)15/h1-6H3,(H2,16,17,18,19,20)
• InChI Key: GOQZIPJCBUYLIR-UHFFFAOYSA-N
• Exact Mass: 391.10249103
• Molecular Formula: C12H20F3N3O6S
• Molecular Weight: 391.37
• SMILES: CC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C
• Topological: 132
• Monoisotopic Mass: 391.10249103
• Synonyms: 1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine, 207857-15-6, DTXSID30395153, DTXCID60346012, 627-920-0, tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N’-(trifluoromethylsulfonyl)carbamimidoyl]carbamate, Goodman’s Reagent, MFCD02683528, N,N’-Bis(tert-butoxycarboyl)-N”-trifylguanidine, 1,3-Bis(tert-butoxycarbonyl)-2-(trifluoromethylsulfonyl)guanidine, 1,3-Bis(tert-butoxycarbonyl)-2-(trifluoromethanesulfonyl)guanidine, 1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine (~90%), N,N’-DI-BOC-N”-TRIFLYLGUANIDINE, 1,3-Di-Boc-2-(trifluoromethanesulfonyl)guanidine, SCHEMBL446590, N,N’-bis(tert-butoxycarbonyl)-N”-triflylguanidine, SCHEMBL1163838, SCHEMBL14821790, BCP08347, N,N’-Di-boc-N”-triflyl guanidine, SBB056431, AKOS015901900, CS-W004839, DS-4831, FD49815, tert-butyl N-({[(tert-butoxy)carbonyl]amino}(trifluoromethanesulfonylimino)methyl)carbamate, AC-25320, SY066107, DB-066325, B3625, 1,3-diboc-2-(trifluoromethylsulfonyl)guanidine, 1,3-diBoc-2-(trifluoromethanesulfonyl)guanidine, 1,3-di-Boc-2-(trifluoromethylsulfonyl)-guanidine, N,N’-di-Boc-N”-trifluoromethanesulfonylguanidine, 1 pound not3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine, 1,3-bis(tert-butoxycarbonyl)-2-trifluoromethanesulfonylguanidine, 1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine, >=95.0% (HPLC), 2-[(Trifluoromethyl)sulphonyl]guanidine, 1,3-Bis-BOC protected, 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 N-[N-tert-butoxycarbonyl-N’-(trifluoromethylsulfonyl)carbamimidoyl]carbamate, (tert-butoxy)-N-{1-[(tert-butoxy)carbonylamino]-2-[(trifluoromethyl)sulfonyl]- 2-azavinyl}carboxamide, tert-butyl[[(tert-butoxycarbonyl)amino]{[(trifluoromethyl)sulfonyl]amino}methylidene]carbamate

Application

1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine serves as a versatile intermediate in the synthesis of guanidine-containing compounds, particularly in pharmaceutical research where protected guanidine derivatives are required. The triflyl group enhances electrophilicity, facilitating nucleophilic attacks in C–N bond-forming reactions. It is widely used in peptide mimetics and kinase inhibitor development due to its ability to introduce guanidine functionality under mild conditions. The Boc groups provide orthogonal protection, enabling selective deprotection in multi-step syntheses.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.