30342-96-2

Basic information

• Product Name: Benzene, 1-methyl-4-(2-propynyl)-
• CAS NO: 30342-96-2
• Molecular Formula: C10H10
• Molecular Weight: 130.189
• Mol File: 30342-96-2.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: Benzene, 1-methyl-4-(2-propynyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-methyl-4-(2-propynyl)-(30342-96-2)
• EPA Substance Registry System: Benzene, 1-methyl-4-(2-propynyl)-(30342-96-2)

Safety Data

• Hazardous Substances Data: 30342-96-2(Hazardous Substances Data)

Upstream product

• 104-81-4 4-Methylbenzyl bromide 
• 106-96-7 propargyl bromide 
• 4294-57-9 para-methylphenylmagnesium bromide 
• 132589-36-7 1-(4-methylphenyl)prop-2-yn-1-ol 
• 106-38-7 para-bromotoluene 

Downstream Products

• 147937-89-1 (E)-3-(4-methylbenzylidene)-5-phenylfuran-2(3H)-one 
• 2749-93-1 1-methyl-4-(1-propyn-1-yl)benzene 
• 2749-96-4 4-methylphenylallene 
• 1443207-52-0 (E)-ethyl 2-(4-methylbenzylidene)-1-(trifluoromethyl)cyclopropanecarboxylate 
• 1443207-41-7 ethyl 2-(4-methylbenzyl)-1-(trifluoromethyl)cycloprop-2-enecarboxylate 
• 1338719-88-2 2-methyl-6-(4-methylphenyl)-3H-azepine 
• 1338719-93-9 7-methyl-3-(4-methylphenyl)-2-(methylsulfanyl)-4,5-dihydro-3H-azepine 
• 1338719-64-4 methyl N-isopropyl-2-(4-methylphenyl)-2,3-butadienimidothioate 
• 67396-39-8 trans-1,2-Dibrom-3-(4-methylphenyl)-propen 

Relevant articles and documents

Compound of dipyrrolopyridine structure Preparation method and medical application

The invention discloses a compound with a dipyrrolo-pyridine structure as well as a preparation method and medical application thereof. The compound provided by the invention has obvious inhibitory activity on JAK family proteins, is an effective JAK inhibitor, and has the prospect of being developed into drugs for inhibiting JAK and further treating diseases.

Chemical optimization of macrocyclic HIV-1 inactivators for improving potency and increasing the structural diversity at the triazole ring

HIV-1 entry inhibition remains an urgent need for AIDS drug discovery and development. We previously reported the discovery of cyclic peptide triazoles (cPTs) that retain the HIV-1 irreversible inactivation functions of the parent linear peptides (PTs) and have massively increased proteolytic resistance. Here, in an initial structure-activity relationship investigation, we evaluated the effects of variations in key structural and functional components of the cPT scaffold in order to produce a platform for developing next-generation cPTs. Some structural elements, including stereochemistry around the cyclization residues and Ile and Trp side chains in the gp120-binding pharmacophore, exhibited relatively low tolerance for change, reflecting the importance of these components for function. In contrast, in the pharmacophore-central triazole position, the ferrocene moiety could be successfully replaced with smaller aromatic rings, where a p-methyl-phenyl methylene moiety gave cPT 24 with an IC50 value of 180 nM. Based on the observed activity of the biphenyl moiety when installed on the triazole ring (cPT 23, IC50 ～ 269 nM), we further developed a new on-resin synthetic method to easily access the bi-aryl system during cPT synthesis, in good yields. A thiophene-containing cPT AAR029N2 (36) showed enhanced entropically favored binding to Env gp120 and improved antiviral activity (IC50 ～ 100 nM) compared to the ferrocene-containing analogue. This study thus provides a crucial expansion of chemical space in the pharmacophore to use as a starting point, along with other allowable structural changes, to guide future optimization and minimization for this important class of HIV-1 killing agents.

Synthesis of allenes via Nickel-catalyzed cross-coupling reaction of propargylic bromides with grignard reagents

We describe a convenient method for the synthesis of terminal allenes from cross-coupling of propargylic bromide with Grignard reagent. The reaction of propargylic bromide with 1.2 equivalents of Grignard reagent mediated by Ni(acac)2 (2 mol%) and Ph3P (4 mol%) in THF may produce terminal allenes in good yields and high regioselectivities at room temperature. Georg Thieme Verlag Stuttgart · New York.