695-84-1

Usage

Uses

An oxidative metabolite of Styrene (S687790).

Upstream product

• 75-21-8 oxirane 
• 108-95-2 phenol 
• 108-98-5 thiophenol 
• 74-86-2 acetylene 
• 496-16-2 2.3-dihydrobenzofuran 
• 113962-85-9 o-hydroxy-2-phenethyl chloride 
• 7664-93-9 sulfuric acid 
• 122-99-6 2-Phenoxyethanol 
• 7446-11-9 sulfur trioxide 
• 141-82-2 malonic acid 
• 89-95-2 2-methyl-benzyl alcohol 
• 2065-66-9 methyl-triphenylphosphonium iodide 
• 50-00-0 formaldehyd 
• 70340-04-4 (2-hydroxybenzyl)triphenylphosphonium bromide 

Downstream Products

• 18732-47-3 3-phenyl-5-(2-hydroxyphenyl)isoxazoline 
• 63600-35-1 2-acetoxystyrene 
• 60640-60-0 2-bromo-1-[5-(2-hydroxy-phenyl)-4,5-dihydro-isoxazol-3-yl]-ethanone 
• 95123-55-0 2-(2-vinylphenoxy)acetic acid 
• 138142-60-6 Trimethyl(2-vinylphenoxy)silane 
• 612-15-7 o-methoxystyrene 
• 87804-23-7 2-(1-hydroxyethyl)phenol 
• 53074-73-0 2-(2-chloroacetyl)phenol 
• 522592-42-3 (S)-2-[(R)-1-(2-Vinyl-phenoxy)-hexyl]-oxirane 
• 522592-41-2 (S)-2-[(R)-Phenyl-(2-vinyl-phenoxy)-methyl]-oxirane 
• 851659-49-9 2-bromo-3-nitro-1-[(2-ethenylphenoxy)methyl]benzene 

Relevant academic research and scientific papers

Molecular structure, conformational preferences and vibrational analysis of 2-hydroxystyrene: A computational and spectroscopic research

The molecular structure of 2-hydroxy-styrene has been investigated at DFT (B3LYP, mPW1PW91) and MP2 levels with an assortment of Pople's and Dunning's basis sets within the isolated molecule approximation. The presence of intramolecular hydrogen bonds has

Synthesis method of hydroxyl-substituted styrene compound and synthesis method of photoresist resin monomer

The present invention provides a synthesis method of a hydroxyl-substituted styrene compound and a synthesis method of photoresist resin monomer. The synthesis method of the hydroxyl-substituted styrene compound comprises the following steps: a) the compound of formula I-1 is reacted with the Wetting reagent to obtain a compound of formula I-2. The synthesis method of the photoresist resin monomer comprises the following steps: a) the synthesis method of the styrene compound substituted with the above hydroxyl group to obtain a compound of formula I-2; b) the compound of formula I-2 is reacted with an acylating reagent to obtain the photoresist resin monomer, the structural formula is referred to formula I-3. The synthesis method of hydroxyl-substituted styrene compounds and photoresist resin monomers of the present invention has high yield and high purity.

Gold(I)-Catalyzed Intramolecular Dehydrative Amination of Sulfamate Esters Tethered to Allylic Alcohols: A Strategy for the Synthesis of Cyclic Sulfamidates

An efficient synthesis protocol for cyclic sulfamidates has been developed via catalytic intramolecular cyclizations of sulfamate esters tethered to allylic alcohols. The reactions proceed smoothly at room temperature in the presence of (IPr)AuCl (5 mol%) and AgBF4 (5 mol%). This protocol features good to excellent yields, high selectivity, broad substrate scope, and mild reaction conditions. This method is also applicable to the synthesis of a seven-membered sulfamidate. (Figure presented.).

MODIFIED MONOMER, MODIFIED POLYMER COMPRISING THE SAME AND METHOD FOR PREPARING THEM

A modified monomer useful for the polymer modification of formula 1. The present invention relates to a method for preparing a modified monomer, a modified polymer comprising a modified monomer-derived functional group, a rubber composition comprising the modified polymer, and a molded article produced from the rubber composition.

KRAS G12D INHIBITORS

The present invention relates to compounds that inhibit KRas G12D. In particular, the present invention relates to compounds that inhibit the activity of KRas G12D, pharmaceutical compositions comprising the compounds and methods of use therefor.

Method for preparing alcohol and phenol through aerobic hydroxylation reaction of boric acid derivative in absence of photocatalyst

The invention discloses a method for preparing alcohol and phenol through aerobic hydroxylation reaction of a boric acid derivative in the absence of a photocatalyst, wherein the boric acid derivativeis aryl boronic acid or alkyl boronic acid, and the corresponding target compounds are respectively a phenol-based compound and an alcohol-based compound. According to the method, by using a boric acid derivative as a reaction substrate, an additive is added under a solvent condition, and a hydroxylation reaction is performed under aerobic and illumination conditions to obtain a corresponding target compound. According to the invention, the new strategy is provided for the synthesis of phenols through aerobic hydroxylation of aryl boronic acid without a photocatalyst; the catalyst-free aerobic hydroxylation method for photocatalysis of aryl boronic acid or alkyl boronic acid by using triethylamine as an additive is firstly disclosed; and the new method has advantages of photocatalyst-freecondition, wide substrate range and good functional group compatibility.

NiH-Catalyzed Migratory Defluorinative Olefin Cross-Coupling: Trifluoromethyl-Substituted Alkenes as Acceptor Olefins to Form gem-Difluoroalkenes

We report a NiH-catalyzed migratory defluorinative coupling between two electronically differentiated olefins. A broad range of unactivated donor olefins can be joined directly to acceptor olefins containing an electron-deficient trifluoromethyl substituent in both intra- and intermolecular fashion to form gem-difluoroalkenes. This migratory coupling shows both site- and chemoselectivity under mild conditions, with the formation of a tertiary or quaternary carbon center.

A wacker-type strategy for the synthesis of unsymmetrical POCsp3E-nickel pincer complexes

ECE-type pincer complexes have evolved into a diverse family of compounds possessing interesting structural/ bonding features, reactivities, and practical applications. An important factor promoting the growth of pincer chemistry is the availability of versatile synthetic pathways that give access to ever-diverse pincer complexes. This report describes the synthesis of pincer-Ni complexes possessing the following features: a central Ni-Csp3 linkage, two different peripheral donor moieties, and two differently sized metallacycles. The synthetic methodology reported herein is based on the reactivity of a phosphinite derived from 2-vinylphenol. Stirring the substrate 2-CH2=CH-C6H4-OP(i-Pr)2, 1, with the NiII precursor {(i-PrCN)NiBr2}n and Et3N at room temperature gave the 6,5-POCsp3PO-type pincer complex {κO,κC,κP-2-[(i-Pr)2P(O)CH2CH]-C6H4-OP(i-Pr)2}NiBr, 2. Conducting this reaction in the presence of an excess of 1 hinders the formation of 2, giving instead the nickellacyclopropane complex {κC,κ,κP-2-[(2-CH2=CH-C6H4O)P(i-Pr)2CHCH]-C6H4-OP(i-Pr)2}NiBr, 3, whereas introducing a second, stronger nucleophile into the reaction mixture leads to the formation of pincer complexes featuring rare 4-membered metallacycles. For instance, using HNR(R′) as nucleophile gave the 6,4-POCsp3N-type pincer complexes {κN,κC,κP-2-[R(R′)NCH2CH]-C6H4-OP(iPr)2}NiBr (NR(R′) = N-morpholyl, 4; NPh(Et), 5; NH(i-Pr), 6; NH(Ph), 7; NH(Cy), 8; NH(t-Bu), 9), whereas using HPR2 as nucleophile led to the 6,4-POCsp3P-type pincer complexes {κP,κC,κP′-2-[R2PCH2CH]-C6H4-OP(i-Pr)2}NiBr (R = i-Pr, 10; iPh, 11). Single crystal diffraction studies have established the solid-state structures of complexes 2-11. All the pincer complexes reported here feature 6-membered metallacycles defined by the phosphinite moiety, while the phosphine-oxide moiety in 2 defines a 5-membered metallacycle and 4-membered metallacycles form by the coordination of the amine moieties in 4-9 and the phosphines in 10 and 11. Cyclic voltammetry measurements on complexes 2, 4-6, 10, and 11 have shown that these pincer-Ni complexes undergo facile one-electron oxidation.

HFIP Solvent Enables Alcohols to Act as Alkylating Agents in Stereoselective Heterocyclization

A new method for the stereoselective synthesis of highly functionalized oxygen heterocycles using allyl or benzyl alcohols as alkylating agents is presented. The process is efficient and atom economic, generating water as the only stoichiometric byproduct. Substoichiometric amounts of Ti(OiPr)4 in HFIP solvent are key to this reactivity, and the method tolerates a broad substitution pattern on both the alcohol initiator and homoallylic alcohol substrate. Preliminary mechanistic studies reveal in situ formation of a titanium complex with HFIP which may initiate the cyclization reaction. Further stereoselective functionalization of the products allows access to a diverse range of interesting heterocyclic structures.

Spiroketal-Based C2-Symmetric Scaffold For Asymmetric Catalysis

Provided herein is a compound of formula (I): wherein each R is independently selected from the group consisting of C1-8 alkyl, C1-8 heteroalkyl having 1-4 heteroatoms independently selected from N, O, and S, C3-6 cycloalkyl, 3-10 membered heterocycloalkyl having 1-4 heteroatoms independently selected from N, O, and S, C6-10 aryl, and 5-10 membered heteroaryl having 1-4 heteroatoms independently selected from N, O, and S; each X is independently selected from OH, PAr2, P(O)Ar2, OPAr2, C3-6 cycloalkyl, 3-10 membered heterocycloalkyl having 1-4 heteroatoms independently selected from N, O, and S or each X together form O2PNR′2; Ar is C6-10aryl; and each R′ is independently selected from hydrogen and C1-8 alkyl. Also provided are methods of making and using the compound of formula (I).