578729-21-2

Basic information

• Product Name: (R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester
• Synonyms: (R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester;tert-Butyl [(1R)-1-(4-bromophenyl)ethyl]carbamate;tert-butyl N-[(1R)-1-(4-broMophenyl)ethyl]carbaMate;(R)-tert-butyl (1-(4-broMophenyl)ethyl)carbaMate;(R)-N-Boc-1-(4-broMophenyl)ethylaMine
• CAS NO: 578729-21-2
• Molecular Formula: C₁₃H₁₈BrNO₂
• Molecular Weight: 300.19
• Mol File: 578729-21-2.mol
• Article Data: 13

Chemical Properties

• Melting Point: 131-135 ºC
• Boiling Point: 383.1 °C at 760 mmHg
• Flash Point: 185.5 °C
• Appearance: /
• Density: 1.282
• Refractive Index: 1.527
• Storage Temp.: 2-8°C
• PKA: 11.94±0.46(Predicted)
• CAS DataBase Reference: (R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester(578729-21-2)
• EPA Substance Registry System: (R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester(578729-21-2)

Safety Data

• Hazardous Substances Data: 578729-21-2(Hazardous Substances Data)

Usage

General Description

"(R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester" is a complex organic compound that features in chemical synthesis and pharmaceutical intermediates. It belongs to the esters family, which are known for their sweet smells, and consists of an array of elements including carbon, hydrogen, bromine, nitrogen, and oxygen. Its molecular weight is around 338.22 g/mol. (R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester flaunts a presence of a chiral center hence showcasing stereochemistry. It is usually preserved and transported in a tightly closed container at room temperature. The compound requires careful handling and the risk and safety phrases should be read before use. The various applications and manipulating techniques of this compound rest mainly in the pharmaceutical and research industry.

InChI:InChI=1/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m1/s1

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 24358-62-1 (R)-1-(4-bromophenyl)ethylamine 
• 58632-95-4 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile 

Downstream Products

• 1021491-25-7 (R)-4-(1-tert-butoxycarbonylaminoethyl)benzoic acid methyl ester 
• 1134776-30-9 (R)-4-(1-tert-butoxycarbonylaminoethyl)benzoic acid 
• 1338545-57-5 (R)-tert-butyl 1-(4-(8-methoxy-6-methyl-4-oxo-4,5-dihydrothieno[2,3-c]quinolin-9-yl)phenyl)ethylcarbamate 
• 871720-08-0 (R)-(4-(1-((tert-butoxycarbonyl)amino)ethyl)phenyl)boronic acid 
• 1425504-22-8 (R)-tert-butyl 1-(4-(8-chloro-6-(pyridin-4-yl)quinazolin-2-ylamino)phenyl)ethylcarbamate 
• 1425504-21-7 (R)-tert-butyl 1-(4-(7-chloro-6-(pyridin-4-yl)quinazolin-2-ylamino)phenyl)ethylcarbamate 
• 1425504-20-6 (R)-tert-butyl 1-(4-(7-methoxy-6-(pyridin-4-yl)quinazolin-2ylamino)phenyl)ethylcarbamate 
• 1425504-28-4 C₂₃H₂₀ClN₅O 
• 1425504-26-2 C₂₃H₂₀ClN₅O 
• 1149727-73-0 tert-butyl [(1R)-1-(4-cyanophenyl)ethyl]carbamate 
• 943152-60-1 (R)-{1-[4-(2-methoxy-pyridin-3-yl)-phenyl]-ethyl}-carbamic acid tert-butyl ester 
• 943152-52-1 (R)-{1-[4-(2-chloro-pyridin-3-yl)-phenyl]-ethyl}-carbamic acid tert-butyl ester 
• 578729-05-2 (R)-tert-butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)carbamate 

Relevant articles and documents

Functionalized Chiral Bambusurils: Synthesis and Host-Guest Interactions with Chiral Carboxylates

Bambusurils are a class of macrocyclic anion receptors that exhibit notable anion recognition properties, able to bind various inorganic anions as well the carboxylates or sulfonates. Recently, we reported enantioselective recognition of chiral carboxylates using non-functionalized chiral bambusuril derivatives. Herein, we report the synthesis and host-guest properties of two new representatives of chiral bambusuril macrocycles bearing ester functional groups, differing by the substituents attached to their portals. Their supramolecular properties in terms of carboxylate binding were studied by means of NMR in DMSO-d6. The reported bambusurils bind selected chiral carboxylates with enantioselectivity factors up to 3.1. The results indicated that the selectivity towards different carboxylates is governed by the steric constraint of the substituents surrounding bambusuril portals. No clear trend in the binding affinities and their enantioselectivities was found.

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