67341-07-5

Basic information

• Product Name: (2-HYDROXY-2-PHENYLETHYL)-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
• Synonyms: (2-HYDROXY-2-PHENYLETHYL)-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER;BOC-2-HYDROXY-2-PHENYLETHYLAMINE;N-Boc-2-hydroxy-2-phenylethylaMine;tert-butyl 2-hydroxy-2-phenylethylcarbamate;CARBAMIC ACID, N-(2-HYDROXY-2-PHENYLETHYL)-, 1,1-DIMETHYLETHYL ESTER
• CAS NO: 67341-07-5
• Molecular Formula: C₁₃H₁₉NO₃
• Molecular Weight: 237.297
• Mol File: 67341-07-5.mol
• Article Data: 36

Chemical Properties

• Melting Point: 123-124 °C
• Boiling Point: 389.4±35.0 °C(Predicted)
• Appearance: /
• Density: 1.101±0.06 g/cm3(Predicted)
• PKA: 12.34±0.46(Predicted)
• CAS DataBase Reference: (2-HYDROXY-2-PHENYLETHYL)-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (2-HYDROXY-2-PHENYLETHYL)-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER(67341-07-5)
• EPA Substance Registry System: (2-HYDROXY-2-PHENYLETHYL)-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER(67341-07-5)

Safety Data

• Hazardous Substances Data: 67341-07-5(Hazardous Substances Data)

Usage

General Description

(2-Hydroxy-2-phenylethyl)-carbamic acid 1,1-dimethylethyl ester is a chemical compound that belongs to the carbamic acid esters class of chemicals. It is commonly used as an intermediate for organic synthesis and pharmaceuticals. It is also used in the production of agricultural and veterinary chemicals, as well as in the manufacturing of dyes and pigments. (2-HYDROXY-2-PHENYLETHYL)-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER may also have potential applications in the field of medicine and pharmacology, specifically for its potential use in the development of new drugs and therapeutic agents. However, it is important to handle this chemical with caution, as it can pose risks to human health and the environment if not properly managed and controlled.

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 7568-93-6 2-Amino-1-phenylethanol 
• 1070-19-5 N-(tert-butyloxycarbonyl) azide 
• 76477-26-4 (2-Oxo-2-phenylethyl)carbamic acid tert-butyl ester 
• 5468-37-1 2-aminoacetophenone hydrochloride 
• 37733-99-6 (+/-)-1-[1-(tert-butylperoxy)-2-nitroethyl]benzene 
• 100-42-5 styrene 
• 99879-59-1 (tert-butoxycarbonyl)(pyridin-1-ium-1-yl)amide 
• 1499-00-9 2-phenylaziridine 
• 100-52-7 benzaldehyde 
• 141377-54-0 2-nitro-1-phenylethan-1-ol 
• 36016-38-3 tert-Butyl N-hydroxycarbamate 
• 105838-14-0 tert-butyl N-tosyloxycarbamate 
• 124718-87-2 2-azido-1-phenylethan-1-ol 

Downstream Products

• 197020-64-7 (+/-)-(N-tert-Butoxycarbonyl)-2-phenylaziridine 
• 4561-43-7 2-amino-1-phenylethanol hydrochloride 
• 174885-99-5 (±)-tert-butyl N-(2-amino-2-phenylethyl)carbamate 
• 943321-52-6 tert-butyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylethylcarbamate 
• 867060-64-8 6-(2,6-Difluorobenzyl)-2-(2-fluorophenyl)-1,2,4-triazine-3,5-(4H)-dione 
• 1143582-50-6 methanesulfonic acid 2-tert-butoxycarbonylamino-1-phenyl-ethyl ester 
• 383180-41-4 (S)-(+)-O-(tert-Butyldimethylsilyl)-2-(N-tert-butoxycarbonylamino)-1-phenylethanol 
• 226950-23-8 (R)-O-(tert-Butyldimethylsilyl)-2-(N-tert-butoxycarbonylamino)-1-phenylethanol 
• 281670-47-1 (S)-(2-hydroxy-2-phenyl-ethyl)carbamic acid tert-butyl ester 
• 691872-58-9 1-[2-(4-fluorophenoxy)-2-phenyl-ethyl]-4-(2-methoxyphenyl)-piperazine 
• 691872-56-7 1-(3-chlorophenyl)-4-[2-(4-fluorophenoxy)-2-phenyl-ethyl]-piperazine 
• 691872-54-5 2-(4-fluorophenoxy)-2-phenyl-ethylamine 

Relevant articles and documents

A Combined Spectroscopic and Computational Study on the Mechanism of Iron-Catalyzed Aminofunctionalization of Olefins Using Hydroxylamine Derived N-O Reagent as the amino Source and oxidant

Herein, we study the mechanism of iron-catalyzed direct synthesis of unprotected aminoethers from olefins by a hydroxyl amine derived reagent using a wide range of analytical and spectroscopic techniques (M?ssbauer, Electron Paramagnetic Resonance, Ultra-Violet Visible Spectroscopy, X-ray Absorption, Nuclear Resonance Vibrational Spectroscopy, and resonance Raman) along with high-level quantum chemical calculations. The hydroxyl amine derived triflic acid salt acts as the oxidant as well as amino group donor. It activates the high-spin Fe(II) (St = 2) catalyst [Fe(acac)2(H2O)2] (1) to generate a high-spin (St = 5/2) intermediate (Int I), which decays to a second intermediate (Int II) with St = 2. The analysis of spectroscopic and computational data leads to the formulation of Int I as [Fe(III)(acac)2-N-acyloxy] (an alkyl-peroxo-Fe(III) analogue). Furthermore, Int II is formed by N-O bond homolysis. However, it does not generate a high-valent Fe(IV)(NH) species (a Fe(IV)(O) analogue), but instead a high-spin Fe(III) center which is strongly antiferromagnetically coupled (J = -524 cm-1) to an iminyl radical, [Fe(III)(acac)2-NH·], giving St = 2. Though Fe(NH) complexes as isoelectronic surrogates to Fe(O) functionalities are known, detection of a high-spin Fe(III)-N-acyloxy intermediate (Int I), which undergoes N-O bond cleavage to generate the active iron-nitrogen intermediate (Int II), is unprecedented. Relative to Fe(IV)(O) centers, Int II features a weak elongated Fe-N bond which, together with the unpaired electron density along the Fe-N bond vector, helps to rationalize its propensity for N-transfer reactions onto styrenyl olefins, resulting in the overall formation of aminoethers. This study thus demonstrates the potential of utilizing the iron-coordinated nitrogen-centered radicals as powerful reactive intermediates in catalysis.

COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR

The invention relates to the field of pharmaceutical chemistry. Specifically, the present invention relates to a series of BET (bromodomain and extra-terminal domain) inhibitors having a novel structure, particularly inhibitors targeting BRD4 (Bromodomain-containing protein 4), and a preparation method and use therefor. The structure thereof is shown in the following general formula (I). Said compounds or a stereoisomer, racemate, geometric isomer, tautomer, prodrug, hydrate, solvate, or crystal form thereof, or a pharmaceutically acceptable salt thereof, and the pharmaceutical compsosition thereof can be used for the treatment and/or prevention of related diseases mediated by bromodomain proteins.

Nitration-Peroxidation of Alkenes: A Selective Approach to β-Peroxyl Nitroalkanes

Nitration-peroxidation of alkenes for the synthesis of β-peroxyl nitroalkanes has been developed by using tert-butyl nitrite and tert-butyl hydroperoxide. The method presents a new and selective difunctionalization of alkenes to introduce a nitro group and a peroxyl group across the double bonds of alkenes under mild conditions. A radical reaction pathway is proposed by experimental and theoretical studies.