107672-15-1

Basic information

• Product Name: 2-[4-(2-methylprop-1-en-1-yl)phenyl]propanoic acid
• Synonyms: benzeneacetic acid, alpha-methyl-4-(2-methyl-1-propen-1-yl)-
• CAS NO: 107672-15-1
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.2649
• Mol File: 107672-15-1.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 333.7°C at 760 mmHg
• Flash Point: 230.7°C
• Density: 1.067g/cm³
• Vapor Pressure: 5.32E-05mmHg at 25°C
• Refractive Index: 1.565
• CAS DataBase Reference: 2-[4-(2-methylprop-1-en-1-yl)phenyl]propanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[4-(2-methylprop-1-en-1-yl)phenyl]propanoic acid(107672-15-1)
• EPA Substance Registry System: 2-[4-(2-methylprop-1-en-1-yl)phenyl]propanoic acid(107672-15-1)

Safety Data

• Hazardous Substances Data: 107672-15-1(Hazardous Substances Data)

Upstream product

• 75625-98-8 2-propionic acid 
• 3017-69-4 2-methyl-1-propenylbromide 
• 76099-91-7 (S)-(+)-2-(4'-iodophenyl)propanoic acid 
• 77601-60-6 ethyl 2-<(4-(2-methyl-1-propenyl)phenyl)>propionate 
• 34645-72-2 (RS)-2-(4'-iodophenyl)propanoic acid 
• 177712-50-4 [4-(diethoxyphosphinyl)methyl]-phenylacetic acid 
• 13737-36-5 4-bromophenylacetic acid 
• 915315-40-1 (4R,5S)-N-(4-isobutenylphenylacetyl)-4-methyl-5-phenyl-2-oxazolidinone 
• 915315-39-8 4-(2-methyl-1-propen-1-yl)phenylacetic acid 
• 915315-41-2 (αR,4R,5S)-N-[α-(4-isobutenylphenyl)-α-methylacetyl]-4-methyl-5-phenyl-2-oxazolidinone 
• 151957-62-9 (2R,3S)-3-(4'-iodophenyl)butane-1,2-diol 
• 151774-90-2 (2S,3S)-3-methyl-3-<4'-(trimethylsilyl)phenyl>oxiranemethanol 
• 151774-94-6 (2R,3S)-3-<4'-(trimethylsilyl)phenyl>butane-1,2-diol 
• 38614-36-7 2-methylpropen-1-ylmagnesium bromide 

Downstream Products

• 121734-80-3 (S)-2-(4-Isobutyl-phenyl)-N-((S)-1-phenyl-ethyl)-propionamide 

Relevant articles and documents

A 1,6-Eliminative Epoxide Cleavage in the Synthesis of an Ibuprofen Metabolite

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para-Selective arylation and alkenylation of monosubstituted arenes using thianthreneS-oxide as a transient mediator

Using thianthreneS-oxide (TTSO) as a transient mediator,para-arylation and alkenylation of mono-substituted arenes have been demonstratedviaapara-selective thianthrenation/Pd-catalyzed thio-Suzuki-Miyaura coupling sequence under mild conditions. This reaction features a broad substrate scope, and functional group and heterocycle tolerance. The versatility of this approach was further demonstrated by late-stage functionalization of complex bioactive scaffolds, and direct synthesis of some pharmaceuticals, including Tetriprofen, Ibuprofen, Bifonazole, and LJ570.

Design of noncompetitive interleukin-8 inhibitors acting on CXCR1 and CXCR2

Chemokines CXCL8 and CXCL1 play a key role in the recruitment of neutrophils at the site of inflammation. CXCL8 binds two membrane receptors, CXCR1 and CXCR2, whereas CXCL1 is a selective agonist for CXCR2. In the past decade, the physiopathological role of CXCL8 and CXCL1 has been investigated. A novel class of small molecular weight allosteric CXCR1 inhibitors was identified, and reparixin, the first drug candidate, is currently under clinical investigation in the prevention of ischemia/reperfusion injury in organ transplantation. Reparixin binding mode to CXCR1 has been studied and used for a computer-assisted design program of dual allosteric CXCR1 and CXCR2 inhibitors. In this paper, the results of modeling-driven SAR studies for the identification of potent dual inhibitors are discussed, and three new compounds (56, 67, and 79) sharing a common triflate moiety have been selected as potential leads with optimized pharmacokinetic characteristics.