71648-05-0

Basic information

• Product Name: H₂ClBNH₃
• Synonyms: H₂ClBNH₃
• CAS NO: 71648-05-0
• Molecular Weight: 65.3104
• Mol File: 71648-05-0.mol

Chemical Properties

• CAS DataBase Reference: H₂ClBNH₃(CAS DataBase Reference)
• NIST Chemistry Reference: H₂ClBNH₃(71648-05-0)
• EPA Substance Registry System: H₂ClBNH₃(71648-05-0)

Safety Data

• Hazardous Substances Data: 71648-05-0(Hazardous Substances Data)

Upstream product

• 10043-11-5 borane-ammonia complex 
• 55606-72-9 H₂BCl * tetrahydrofuran 

Relevant articles and documents

Mechanisms of the Reactions of B-Substituted Amine Boranes with THF·BH3

The reactions of NH3BH2R (R = Me, Ph and Cl) with THFBH3 have been investigated and it was found that different substituents on the B atom help to proceed the reactions in different ways. The expected doubly-bridged B-substituted aminodiborane products, similar to aminodiborane (ADB, BH2(μ-H)(μ-NH2)BH2) via the reaction of ammonia borane (AB, NH3BH3) and tetrahydrofuran borane (THFBH3), are not obtained. Two competitive reactions occurred with the change of R = Me or Ph. When R is a Me group, an “open“ version of B-substituted μ-aminodiborane, THFBH(Me)(μ-NH2)BH3, is formed as a major product; when R is a Ph group, AB and THFBH2Ph are formed as main products via the intermolecular NH3–THF exchange reaction. However, if R is Cl, then NH3BH2Cl reacts with THFBH3 through reversible intermolecular Cl–H exchange mechanism. Furthermore, DFT calculations are performed to elucidate the formation mechanism of THFBH(Me)(μ-NH2)BH3 via the reaction of NH3BH2Me and THFBH3 as well as the exchange mechanism of Cl–H in the reaction of NH3BH2Cl and THFBH3.

B-H bond activation using an electrophilic metal complex: Insights into the reaction pathway

A highly electrophilic ruthenium center in the [RuCl(dppe) 2][OTf] complex brings about the activation of the B-H bond in ammonia borane (H3N·BH3, AB) and dimethylamine borane (Me2HN·BH3, DMAB). At room temperature, the reaction between [RuCl(dppe)2][OTf] and AB or DMAB results in trans-[RuH(η2-H2)(dppe)2][OTf], trans-[RuCl(η2-H2)(dppe)2][OTf], and trans-[RuH(Cl)(dppe)2], as noted in the NMR spectra. Mixing the ruthenium complex and AB or DMAB at low temperature (198/193 K) followed by NMR spectral measurements as the reaction mixture was warmed up to room temperature allowed the observation of various species formed enroute to the final products that were obtained at room temperature. On the basis of the variable-temperature multinuclear NMR spectroscopic studies of these two reactions, the mechanistic insights for B-H bond activation were obtained. In both cases, the reaction proceeds via an η1-B-H moiety bound to the metal center. The detailed mechanistic pathways of these two reactions as studied by NMR spectroscopy are described.