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(3-Bromophenyl)acetaldehyde is a chemical compound characterized by the molecular formula C8H7BrO. It is a white to off-white solid with a molecular weight of 211.04 g/mol. (3-Bromophenyl)acetaldehyde is recognized for its role as an intermediate in the synthesis of various products, particularly in the pharmaceutical and agrochemical industries. Its structural properties make it a valuable building block for the preparation of a range of derivatives.

109347-40-2

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109347-40-2 Usage

Uses

Used in Pharmaceutical Industry:
(3-Bromophenyl)acetaldehyde is used as a synthetic intermediate for the development of pharmaceuticals. Its unique structure allows it to be a key component in the creation of new drugs, contributing to advancements in medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, (3-Bromophenyl)acetaldehyde serves as an essential intermediate in the synthesis of various agrochemicals. Its incorporation aids in the production of effective compounds for agricultural applications, such as pesticides and herbicides.
Used in Organic Synthesis:
(3-Bromophenyl)acetaldehyde is utilized as a building block in organic synthesis, enabling the construction of complex organic molecules. Its reactivity and structural features make it a versatile component in the synthesis of a wide array of organic compounds.
Safety Precautions:

Check Digit Verification of cas no

The CAS Registry Mumber 109347-40-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,9,3,4 and 7 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 109347-40:
(8*1)+(7*0)+(6*9)+(5*3)+(4*4)+(3*7)+(2*4)+(1*0)=122
122 % 10 = 2
So 109347-40-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H7BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,5-6H,4H2

109347-40-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3-bromophenyl)acetaldehyde

1.2 Other means of identification

Product number -
Other names Benzeneacetaldehyde,3-bromo

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:109347-40-2 SDS

109347-40-2Relevant academic research and scientific papers

Synthesis of Arylacetaldehydes by Iridium-Catalyzed Arylation of Vinylene Carbonate with Arylboronic Acids

Wang, Zhe,Xue, Fei,Hayashi, Tamio

supporting information, p. 11054 - 11057 (2019/07/17)

The one-step synthesis of arylacetaldehydes by carbon–carbon bond formation between formylmethyl and aryl groups has been realized by the reaction of vinylene carbonate with arylboronic acids in the presence of an iridium/bisphosphine catalyst and a catalytic amount of tetrahydroxydiboron.

C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4)inhibitors, compound profiling in cell-based target engagement assays

Le Bihan, Yann-Va?,Lanigan, Rachel M.,Atrash, Butrus,McLaughlin, Mark G.,Velupillai, Srikannathasan,Malcolm, Andrew G.,England, Katherine S.,Ruda, Gian Filippo,Mok, N. Yi,Tumber, Anthony,Tomlin, Kathy,Saville, Harry,Shehu, Erald,McAndrew, Craig,Carmichael, LeAnne,Bennett, James M.,Jeganathan, Fiona,Eve, Paul,Donovan, Adam,Hayes, Angela,Wood, Francesca,Raynaud, Florence I.,Fedorov, Oleg,Brennan, Paul E.,Burke, Rosemary,van Montfort, Rob L.M.,Rossanese, Olivia W.,Blagg, Julian,Bavetsias, Vassilios

supporting information, p. 316 - 337 (2019/06/05)

Residues in the histone substrate binding sites that differ between the KDM4 and KDM5 subfamilies were identified. Subsequently, a C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-one series was designed to rationally exploit these residue differences between

RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF

-

Paragraph 0128; 0129, (2019/01/29)

Disclosed are a retinoid compound, a preparation method therefor, intermediates thereof and an application thereof. The retinoid compound I of the present invention has a good tumor growth inhibition rate.

Compound with 2-aminopyrimidine structure as well as preparation method and purpose thereof

-

Paragraph 0104-0107, (2019/06/08)

The invention provides a compound of a 2-aminopyrimidine structure shown as a general formula (1), or a stereisomer, enantiomers or medically acceptable salt of the compound, a preparation method of the compound, a medicine composition containing the composition or a purpose of the composition. The compound shown as the general formula (1) can be used for preparing NIK kinase inhibitors, and can be used for preventing and/or treating diseases relevant to NIK kinase, particularly cancer and metabolic diseases, such as B-cell dysfunction related cancer such as multiple myeloma, lymphocyte carcinoma, diffuse large B cell lymphoma of liver cancer, hodgkin lymphoma and chronic lymphocytic leukemia, prostatic cancer, liver cancer, intestinal cancer, medicine induced liver damage, alcohol inducedliver damage, toxic induced acute liver injury, chronic liver inflammation and the like. The general formula (1) is shown in the description.

Peroxygenase-Catalysed Epoxidation of Styrene Derivatives in Neat Reaction Media

Alcalde, Miguel,Arends, Isabel W. C. E.,Hollmann, Frank,Paul, Caroline E.,Rauch, Marine C. R.,Tieves, Florian

, (2019/08/30)

Biocatalytic oxyfunctionalisation reactions are traditionally conducted in aqueous media limiting their production yield. Here we report the application of a peroxygenase in neat reaction conditions reaching product concentrations of up to 360 mM.

Photochemical Homologation for the Preparation of Aliphatic Aldehydes in Flow

Chen, Yiding,Leonardi, Marco,Dingwall, Paul,Labes, Ricardo,Pasau, Patrick,Blakemore, David C.,Ley, Steven V.

, p. 15558 - 15568 (2019/01/04)

Cheap and readily available aqueous formaldehyde was used as a formylating reagent in a homologation reaction with nonstabilized diazo compounds, enabled by UV photolysis of bench-stable oxadiazolines in a flow photoreactor. Various aliphatic aldehydes were synthesized along with the corresponding derivatized alcohols and benzimidazoles. No transition-metal catalyst or additive was required to affect the reaction, which proceeded at room temperature in 80 min.

Biocatalytic Formal Anti-Markovnikov Hydroamination and Hydration of Aryl Alkenes

Wu, Shuke,Liu, Ji,Li, Zhi

, p. 5225 - 5233 (2017/08/17)

Biocatalytic anti-Markovnikov alkene hydroamination and hydration were achieved based on two concepts involving enzyme cascades: epoxidation-isomerization-amination for hydroamination and epoxidation-isomerization-reduction for hydration. An Escherichia coli strain coexpressing styrene monooxygenase (SMO), styrene oxide isomerase (SOI), ω-transaminase (CvTA), and alanine dehydrogenase (AlaDH) catalyzed the hydroamination of 12 aryl alkenes to give the corresponding valuable terminal amines in high conversion (many ≥86%) and exclusive anti-Markovnikov selectivity (>99:1). Another E. coli strain coexpressing SMO, SOI, and phenylacetaldehyde reductase (PAR) catalyzed the hydration of 12 aryl alkenes to the corresponding useful terminal alcohols in high conversion (many ≥80%) and very high anti-Markovnikov selectivity (>99:1). Importantly, SOI was discovered for stereoselective isomerization of a chiral epoxide to a chiral aldehyde, providing some insights on enzymatic epoxide rearrangement. Harnessing this stereoselective rearrangement, highly enantioselective anti-Markovnikov hydroamination and hydration were demonstrated to convert α-methylstyrene to the corresponding (S)-amine and (S)-alcohol in 84-81% conversion with 97-92% ee, respectively. The biocatalytic anti-Markovnikov hydroamination and hydration of alkenes, utilizing cheap and nontoxic chemicals (O2, NH3, and glucose) and cells, provide an environmentally friendly, highly selective, and high-yielding synthesis of terminal amines and alcohols.

Maleimide-assisted anti-Markovnikov Wacker-type oxidation of vinylarenes using molecular oxygen as a terminal oxidant

Nakaoka, Sonoe,Murakami, Yuka,Kataoka, Yasutaka,Ura, Yasuyuki

supporting information, p. 335 - 338 (2016/01/09)

Arylacetaldehydes were successfully synthesized by the anti-Markovnikov Wacker-type oxidation of vinylarenes using 1 atm O2 as a terminal oxidant under mild conditions. Electron-deficient alkenes, such as maleic anhydride and maleimides, were effective additives and would operate as ligands to stabilize the Pd(0) species during the reaction.

Efficient epoxide isomerization within a self-assembled hexameric organic capsule

Caneva, Thomas,Sperni, Laura,Strukul, Giorgio,Scarso, Alessandro

, p. 83505 - 83509 (2016/11/01)

The isomerization of epoxides to the corresponding carbonyl compounds is efficiently catalyzed by the supramolecular organic nano-capsule formed by the self-assembly of six resorcin[4]arene units. The capsule provides a combination of weak Br?nsted acidity and a suitable nano-environment that favors the metal-free isomerization reaction.

Hypoiodite-catalyzed regioselective oxidation of alkenes: An expeditious access to aldehydes in aqueous micellar media

Swamy, Peraka,Reddy, Marri Mahender,Naresh, Mameda,Kumar, Macharla Arun,Srujana, Kodumuri,Durgaiah, Chevella,Narender, Nama

, p. 1125 - 1130 (2015/04/22)

A highly anti-Markovnikov selective oxidation of alkenes based on in situ generated hypoiodite catalysis in aqueous micellar media under mild conditions has been described. This novel catalytic system realizes an efficient synthesis of aldehydes from alkenes in an economically viable and environmentally safe fashion. The preliminary mechanistic studies suggest that the reaction proceeds via tandem iodofunctionalization/1,2-aryl or alkyl migration. The scope and limitations of this tandem process are demonstrated with various mono- and disubstituted (terminal and internal) olefins.

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