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β-Bromobenzenepropionic acid methyl ester is an organic compound with the chemical formula C10H11BrO2. It is a derivative of benzenepropionic acid, featuring a bromine atom at the β-position (second carbon) and a methyl ester group attached to the carboxylic acid. This colorless liquid is soluble in organic solvents and is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Its chemical structure provides a versatile platform for further functionalization, making it a valuable building block in organic chemistry.

16503-45-0

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16503-45-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 16503-45-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,5,0 and 3 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 16503-45:
(7*1)+(6*6)+(5*5)+(4*0)+(3*3)+(2*4)+(1*5)=90
90 % 10 = 0
So 16503-45-0 is a valid CAS Registry Number.

16503-45-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-bromo-3-phenyl-propionic acid methyl ester

1.2 Other means of identification

Product number -
Other names Benzenepropanoic acid, β-bromo-, methyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:16503-45-0 SDS

16503-45-0Relevant academic research and scientific papers

Enantiospecific on-water bromination: A mild and efficient protocol for the preparation of alkyl bromides

Alletto, Francesco,Adamo, Mauro F. A.

supporting information, p. 8692 - 8698 (2020/12/29)

Herein we report the first example of an on-water enantiospecific synthesis of alkyl bromides. This procedure allowed the conversion of secondary activated alkyl sulphides to benzylic alkyl bromides, which were obtained in 80-99% yields. The reaction carried out on enantio-pure sulphides provided the corresponding bromides in high yields and enantioselectivity (up to 92% ee; 94% es) at room temperature. The on-water conditions reduced significantly the reaction times compared to similar procedures run in organic media. The condition identified made use of no solvent, required no temperature control and produced a smooth organic phase easily separated for further synthetic use on a multigram-scale without the need for any organic extraction. Therefore, the present constitutes the most operationally simple and environmentally benign approach to a class of much sought organic intermediates. This journal is

Sulphide as a leaving group: Highly stereoselective bromination of alkyl phenyl sulphides

Canestrari, Daniele,Cioffi, Caterina,Biancofiore, Ilaria,Lancianesi, Stefano,Ghisu, Lorenza,Ruether, Manuel,O'Brien, John,Adamo, Mauro F.A.,Ibrahim, Hasim

, p. 9042 - 9050 (2019/10/22)

A conceptionally novel nucleophilic substitution approach to synthetically important alkyl bromides is presented. Using molecular bromine (Br2), readily available secondary benzyl and tertiary alkyl phenyl sulphides are converted into the corresponding bromides under exceptionally mild, acid- and base-free reaction conditions. This simple transformation allows the isolation of elimination sensitive benzylic β-bromo carbonyl and nitrile compounds in mostly high yields and purities. Remarkably, protic functionalities such as acids and alcohols are tolerated. Enantioenriched benzylic β-sulphido esters, readily prepared by asymmetric sulpha-Michael addition, produce the corresponding inverted bromides with high stereoselectivities, approaching complete enantiospecificity at -40 °C. Significantly, the reported benzylic β-bromo esters can be stored without racemisation for prolonged periods at -20 °C. Their synthetic potential was demonstrated by the one-pot preparation of γ-azido alcohol (S)-5 in 90% ee. NMR studies revealed an initial formation of a sulphide bromine adduct, which in turn is in equilibrium with a postulated dibromosulphurane intermediate that undergoes C-Br bond formation.

HBr–DMPU: The First Aprotic Organic Solution of Hydrogen Bromide

Li, Zhou,Ebule, Rene,Kostyo, Jessica,Hammond, Gerald B.,Xu, Bo

supporting information, p. 12739 - 12743 (2017/09/25)

HBr and DMPU (1,3-dimethyl-3,4,5,6-tetrahydro-2-pyrimidinone) form a room-temperature-stable complex that provides a mild, effective, and selective hydrobrominating reagent toward alkynes, alkenes, and allenes. HBr–DMPU could also replace other halogenating reagents in the halo-Prins reaction, ether cleavage, and deoxy-bromination reactions.

Ring-opening addition reaction of cyclopropanol derivatives with carbenes

Oku,Iwamoto,Sanada,Abe

, p. 7169 - 7172 (2007/10/02)

Chloro(phenyl)carbene and diphenylcarbene reacted with cyclopropanone hemiacetals, cyclopropanols, and cyclopropanone cyanohydrins to give 4-phenylbutanoic acid derivatives. The mechanism was explained in terms of a homolytic process that the O-H group of

SYNTHESE, EIGENSCHAFTEN UND CARBONYL-INSERTIONS-REAKTIONEN VON TETRACARBONYLEISEN(0)-KOMPLEXEN para-SUBSTITUIERTER STYROLE

Schmidt, Eckhart K.G.,Dogan, Mehmet

, p. 73 - 84 (2007/10/02)

The Fe(CO)4 η2-complexes of para-substituted styrenes (substituent=H, CH3, OCH3, Cl, F) can be obtained in good yields.Complexation changes drastically the chemical shifts and coupling constants of the vinyl protons.Reaction of the complexes wi

KETTENVERLAENGERUNG DURCH CARBONYLINSERTION BEI DER REAKTION VON (TETRACARBONYL)-(OLEFIN)EISEN(O)-KOMPLEXEN MIT OXIDATIONSMITTELN

Schmidt, E. K. G.,Wiese, W.

, p. 4425 - 4428 (2007/10/02)

On oxidation of (tetracarbonyl)(olefin)iron(O)-complexes in alcoholic solvents esters carrying a substituent in the 3-position are formed by a carbonylinsertion reaction.

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