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1-Bromopropylbenzene, also known as α-bromo-1-phenylpropane, is a chemical compound with the molecular formula C9H11Br. It is a colorless liquid that exhibits a faint, sweet odor. 1-bromopropylbenzene is utilized as a precursor in the synthesis of a variety of organic compounds, making it a versatile component in chemical manufacturing.

2114-36-5

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2114-36-5 Usage

Uses

Used in Pharmaceutical Industry:
1-Bromopropylbenzene is used as a precursor for the synthesis of various pharmaceuticals. It plays a crucial role in the production of drugs due to its ability to be chemically modified to create a range of medicinal compounds.
Used in Agrochemical Industry:
In the agrochemical sector, 1-bromopropylbenzene is employed as a starting material for the synthesis of different agrochemicals. Its reactivity allows for the development of substances that can be used in crop protection and other agricultural applications.
Used in Specialty Chemicals Production:
1-Bromopropylbenzene is utilized as an intermediate in the manufacturing of specialty chemicals, which are often used in specific industries for their unique properties and functions.
Used as a Solvent:
1-bromopropylbenzene also serves as a solvent in certain chemical processes. Its solubility properties make it suitable for dissolving other substances in various applications.
Used in Fragrance and Flavoring Agents Manufacturing:
1-Bromopropylbenzene is used as an intermediate in the production of fragrances and flavoring agents, where its chemical structure can be altered to create aromatic and taste compounds.
Safety and Handling:

Check Digit Verification of cas no

The CAS Registry Mumber 2114-36-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,1 and 4 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 2114-36:
(6*2)+(5*1)+(4*1)+(3*4)+(2*3)+(1*6)=45
45 % 10 = 5
So 2114-36-5 is a valid CAS Registry Number.

2114-36-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-bromopropylbenzene

1.2 Other means of identification

Product number -
Other names 1-Bromo-1-phenylpropane

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:2114-36-5 SDS

2114-36-5Relevant academic research and scientific papers

Copper-Catalyzed Enantioconvergent Cross-Coupling of Racemic Alkyl Bromides with Azole C(sp2)?H Bonds

Chang, Xiao-Yong,Chen, Ji-Jun,Gu, Qiang-Shuai,Jiang, Sheng-Peng,Li, Zhong-Liang,Liu, Lin,Liu, Xiao-Dong,Liu, Xin-Yuan,Su, Xiao-Long,Wang, Fu-Li,Yang, Chang-Jiang,Ye, Liu

, p. 380 - 384 (2020/10/30)

The development of enantioconvergent cross-coupling of racemic alkyl halides directly with heteroarene C(sp2)?H bonds has been impeded by the use of a base at elevated temperature that leads to racemization. We herein report a copper(I)/cinchona-alkaloid-derived N,N,P-ligand catalytic system that enables oxidative addition with racemic alkyl bromides under mild conditions. Thus, coupling with azole C(sp2)?H bonds has been achieved in high enantioselectivity, affording a number of potentially useful α-chiral alkylated azoles, such as 1,3,4-oxadiazoles, oxazoles, and benzo[d]oxazoles as well as 1,3,4-triazoles, for drug discovery. Mechanistic experiments indicated facile deprotonation of an azole C(sp2)?H bond and the involvement of alkyl radical species under the reaction conditions.

1H-INDAZOLE CARBOXAMIDES AS RECEPTOR-INTERACTING PROTEIN KINASE 1 INHIBITORS (RIPK1)

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Page/Page column 69; 70, (2020/05/06)

Compounds having formula (I), and enantiomers, and diastereomers, stereoisomers, pharmaceutically-acceptable salts thereof, (I) are useful as kinase modulators, including RIPK1 modulation. All the variables are as defined herein.

Boron tribromide as a reagent for anti-Markovnikov addition of HBr to cyclopropanes

Chen, Shuming,Gieuw, Matthew H.,Houk, K. N.,Ke, Zhihai,Yeung, Ying-Yeung

, p. 9426 - 9433 (2020/10/02)

Although radical formation from a trialkylborane is well documented, the analogous reaction mode is unknown for trihaloboranes. We have discovered the generation of bromine radicals from boron tribromide and simple proton sources, such as water ortert-butanol, under open-flask conditions. Cyclopropanes bearing a variety of substituents were hydro- and deuterio-brominated to furnish anti-Markovnikov products in a highly regioselective fashion. NMR mechanistic studies and DFT calculations point to a radical pathway instead of the conventional ionic mechanism expected for BBr3

Method for synthesizing alkyne through catalytic asymmetric cross coupling (by machine translation)

-

, (2020/01/12)

The invention belongs to the field of, asymmetric synthesis, and discloses a method for catalyzing asymmetric cross- coupling to synthesize: an alkyne, and the L method comprises, the following steps, of A: preparing B a cuprous, salt and C a: ligand; preparing a catalyst; adding a base; reacting the compound with the compound with the compound; and reacting the compound with the compound. Of these, one of them, X is selected from the group consisting of, R halogens. 1 Optionally substituted heteroarylsulfonylcyanamide groups selected from the, group consisting, of optionally substituted, phenyl groups In-flight vehicle, R6 Trialkyl silyl groups or alkyl radicals, R2 Cycloalkyl radicals optionally substituted with an, optionally substituted alkyl, (CH radical2 )n R4 Multi,layer chain, n=0-10,R saw blade4 A group selected, from, the group consisting of phenyl, alkenyl, aralkynyls, noonyloxy,and, noonylsulfonylsulfonylsulfonylsulfonylsulfonylsulfonylsulfonylsulfonylsulfonylsulphonylsulphonylsulphonylsulphonylsulphonylsulphonylsulphonylsulphonylsulphonylsulphonylphenyl disiloxy-radicals. R3 A ligand, selected from hydrogen or any of the functional groups, is selected from the group consisting of, hydrogen and any L other functional group. The method, R disclosed by the, A invention has the, advantages of good catalytic, R ’ effect, wide application range. and high catalytic efficiency, and the, method disclosed by the, invention has the. advantages of good catalytic effect, wide application range and high catalytic efficiency. (by machine translation)

SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF

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Page/Page column 94-95, (2018/04/12)

This invention is in the field of medicinal chemistry. In particular, the invention relates to a new class of small-molecules having a thiopyrimidinone structure which function as inhibitors of ALDH protein, and their use as therapeutics for the treatment of cancer and other diseases.

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.

Silver-Catalyzed Decarboxylative Bromination of Aliphatic Carboxylic Acids

Tan, Xinqiang,Song, Tao,Wang, Zhentao,Chen, He,Cui, Lei,Li, Chaozhong

supporting information, p. 1634 - 1637 (2017/04/11)

The silver-catalyzed Hunsdiecker bromination of aliphatic carboxylic acids is described. With Ag(Phen)2OTf as the catalyst and dibromoisocyanuric acid as the brominating agent, various aliphatic carboxylic acids underwent decarboxylative bromination to provide the corresponding alkyl bromides under mild conditions. This method not only is efficient and general but also enjoys wide functional group compatibility. An oxidative radical mechanism involving Ag(II) intermediates is proposed.

Transition-Metal-Free Stereospecific Cross-Coupling with Alkenylboronic Acids as Nucleophiles

Li, Chengxi,Zhang, Yuanyuan,Sun, Qi,Gu, Tongnian,Peng, Henian,Tang, Wenjun

supporting information, p. 10774 - 10777 (2016/09/09)

We herein report a transition-metal-free cross-coupling between secondary alkyl halides/mesylates and aryl/alkenylboronic acid, providing expedited access to a series of nonchiral/chiral coupling products in moderate to good yields. Stereospecific SN2-type coupling is developed for the first time with alkenylboronic acids as pure nucleophiles, offering an attractive alternative to the stereospecific transition-metal-catalyzed C(sp2)-C(sp3) cross-coupling.

Visible-light-mediated benzylic sp3 C-H bond functionalization to C-Br or C-N bond

Hou, Tianyuan,Lu, Ping,Li, Pixu

supporting information, p. 2273 - 2276 (2016/05/10)

A visible-light-promoted functionalization of unactivated benzylic sp3 C-H bonds was developed. Ethylbenzene derivatives were converted to the corresponding benzyl bromides or afforded benzylamine derivatives in a one-pot manner under visible light photoredox conditions.

Tribromoisocyanuric acid as a green reagent for benzylic bromination of alkylarenes

De Almeida, Leonardo S.,Esteves, Pierre M.,De Mattos, Marcio C.S.

, p. 6843 - 6845 (2015/11/27)

The reaction of diverse alkylarenes with tribromoisocyanuric acid (0.34 mol equiv) in reflux EtOAc in the absence of any catalysts or light irradiation produced the corresponding benzyl bromides in 53-88% yield.

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