92196-82-2

Upstream product

• 14273-85-9 methyl 4-iodobutanoate 
• 103-67-3 benzyl-methyl-amine 
• 67-56-1 methanol 
• 4897-84-1 Methyl 4-bromobutyrate 

Downstream Products

• 92196-15-1 5-(benzyl-methyl-amino)-pentan-2-one 
• 188132-01-6 4-[benzyl(methyl)amino]butanoic acid 

Relevant academic research and scientific papers

Biquaternary ammonium compound and preparation method and application thereof

The invention provides a biquaternary ammonium compound and a preparation method and application thereof. The biquaternary ammonium compound is shown as a formula (I). The compound disclosed by the invention has quick-acting and ultra-short-acting non-depolarized muscle relaxation molecular activity, is quick in acting and can generate a complete muscle relaxation effect under the condition of low administration dosage, and the time required for complete recovery of muscle strength is short and is obviously shorter than that of a positive drug cisatracurium and a depolarized muscle relaxation drug succinylcholine; the problems of non-depolarized muscle relaxant in the prior art are effectively solved, and the compound can be used for preparing the non-depolarized muscle relaxant with an excellent effect and has a good prospect.

Compound with dicationic quaternary ammonium salt structure and preparation method and application thereof

The invention provides a diquaternary ammonium compound, or a crystal form thereof, or a solvate thereof, or a stereoisomer thereof, or an isotope label thereof, or a salt thereof. The structure of the diquaternary ammonium compound is as shown in formula (I). Experiments prove that the compound takes effect quickly after being taken once, can provide a complete muscle relaxation effect for 2-10 minutes, can realize a super-short-acting non-depolarized muscle relaxation effect only by depending on metabolism of an organism, and still shows quick fading of the muscle relaxation effect after being taken for a large dose and continuously. Compared with contrast muscle relaxants cisatracurium and succinylcholine, the compound provided by the invention has the advantages of smaller dosage, faster effect, complete recovery of muscular tension (TOF> 90%) and less time, and has a very good application prospect in preparation of skeletal muscle relaxation drugs which take effect quickly, recover quickly and have small toxic and side effects.

Mechanism of gold(I)-catalyzed rearrangements of acetylenic amine-N-oxides: Computational investigations lead to a new mechanism confirmed by experiment

Figure Persented: Quantum mechanical studies of the mechanism of gold-catalyzed rearrangements of acetylenic amine-N-oxides to piperidinones or azepanones have revealed a new mechanism involving a concerted heteroretroene reaction, formally a 1,5 hydrogen shift from the N-alkyl groups to the vinyl position of a gold-coordinated methyleneisoxazolidinium or methyleneoxazinanium. Density functional calculations (B3LYP, B3LYP-D3) on the heteroretroene mechanism reproduce experimental regioselectivities and provide an explanation as to why the hydrogen is transferred from the smaller amine substituent. In support of the proposed mechanism, new experimental investigations show that the hydrogen shift is concerted and that gold carbenes are not involved as reaction intermediates.