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1-ALLYL-3-BROMOBENZENE is a chemical compound characterized by a benzene ring with a bromine atom at the 3-position and an allyl group at the 1-position. 1-ALLYL-3-BROMOBENZENE is known for its versatility in organic synthesis, serving as an intermediate for the production of a wide range of organic compounds, including pharmaceuticals, agrochemicals, and fragrances. The allyl group's reactivity and the bromine atom's utility in substitution and elimination reactions make 1-ALLYL-3-BROMOBENZENE a significant building block in the field of organic chemistry.

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  • 18257-89-1 Structure
  • Basic information

    1. Product Name: 1-ALLYL-3-BROMOBENZENE
    2. Synonyms: 1-ALLYL-3-BROMOBENZENE;3-(3-BROMOPHENYL)-1-PROPENE;3-(Prop-1-en-3-yl)bromobenzene;3-(3-Bromophenyl)prop-1-ene, 1-Allyl-3-bromobenzene, 1-Bromo-3-(prop-2-en-1-yl)benzene;3-Allylbromobenzene;3-(3-Bromophenyl)prop-1-ene, 1-Bromo-3-(prop-2-en-1-yl)benzene
    3. CAS NO:18257-89-1
    4. Molecular Formula: C9H9Br
    5. Molecular Weight: 197.07
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 18257-89-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 224°Cat760mmHg
    3. Flash Point: 90.8°C
    4. Appearance: /
    5. Density: 1.313g/cm3
    6. Vapor Pressure: 0.139mmHg at 25°C
    7. Refractive Index: 1.55
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. Sensitive: Light Sensitive
    11. CAS DataBase Reference: 1-ALLYL-3-BROMOBENZENE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-ALLYL-3-BROMOBENZENE(18257-89-1)
    13. EPA Substance Registry System: 1-ALLYL-3-BROMOBENZENE(18257-89-1)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 18257-89-1(Hazardous Substances Data)

18257-89-1 Usage

Uses

Used in Pharmaceutical Industry:
1-ALLYL-3-BROMOBENZENE is used as a synthetic intermediate for the development of various pharmaceuticals. Its reactivity allows for the creation of new compounds with potential medicinal properties, contributing to the advancement of drug discovery and design.
Used in Agrochemical Industry:
In the agrochemical sector, 1-ALLYL-3-BROMOBENZENE is utilized as a precursor in the synthesis of agrochemicals. Its role in creating new compounds aids in the development of more effective and targeted pesticides, herbicides, and other agricultural products.
Used in Fragrance Industry:
1-ALLYL-3-BROMOBENZENE is employed as a building block in the creation of fragrances. Its ability to undergo various chemical transformations enables the production of unique and complex scent molecules, enriching the palette of available fragrances for the perfumery market.
Used in Organic Synthesis:
1-ALLYL-3-BROMOBENZENE is used as a versatile intermediate in organic synthesis for the preparation of a diverse array of organic compounds. Its presence facilitates various chemical reactions, making it an essential component in the synthesis of specialty chemicals and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 18257-89-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,2,5 and 7 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 18257-89:
(7*1)+(6*8)+(5*2)+(4*5)+(3*7)+(2*8)+(1*9)=131
131 % 10 = 1
So 18257-89-1 is a valid CAS Registry Number.
InChI:InChI=1/C9H9Br/c1-2-4-8-5-3-6-9(10)7-8/h2-3,5-7H,1,4H2

18257-89-1SDS

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-bromo-3-prop-2-enylbenzene

1.2 Other means of identification

Product number -
Other names 1-bromo-3-(prop-2-enyl)benzene

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:18257-89-1 SDS

18257-89-1Relevant articles and documents

ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES

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Paragraph 0199, (2019/02/25)

A compound having a structure of the formula Ir(LA)(LB), in which LA is a bidentate, tridentate, tetradentate, pentadentate, or hexadentate ligand and LB is a monodentate, bidentate, tridentate, or tetradentate ligand, or not present, and where the total denticity of LA plus LB is 6, and LA includes at least one structure of Formula I: is disclosed as a useful phosphorescent emitter compound.

Cross-Coupling Reactions of Aryldiazonium Salts with Allylsilanes under Merged Gold/Visible-Light Photoredox Catalysis

Akram, Manjur O.,Mali, Pramod S.,Patil, Nitin T.

supporting information, p. 3075 - 3078 (2017/06/23)

A method for the cross-coupling reactions of aryldiazonium salts with trialkylallylsilanes via merged gold/photoredox catalysis is described. The reaction is proposed to proceed through a photoredox-promoted generation of an electrophilic arylgold(III) intermediate that undergoes transmetalation with allyltrimethylsilane to form allylarenes.

SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS

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Paragraph 0904; 0905, (2015/06/10)

The present invention relates to novel substituted bridged urea compounds, corresponding related analogs, pharmaceutical compositions and methods of use thereof. Sirtuin-modulating compounds of the present invention may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. The present invention also related to compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS

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Page/Page column 178-179, (2014/12/12)

Provided herein are novel substituted bridged urea and related analogs and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

A new synthetic approach for functional triisopropoxyorganosilanes using molecular building blocks

Maegawa, Yoshifumi,Waki, Minoru,Umemoto, Akinari,Shimada, Toyoshi,Inagaki, Shinji

, p. 5312 - 5318 (2013/06/27)

We report an efficient synthetic approach for well-designed organic-bridged alkoxysilanes, which allow the formation of highly functional organosilica hybrids under mild sol-gel conditions. A series of molecular building blocks containing a triisopropoxys

Nickel-catalyzed heck-type reactions of benzyl chlorides and simple olefins

Matsubara, Ryosuke,Gutierrez, Alicia C.,Jamison, Timothy F.

supporting information; experimental part, p. 19020 - 19023 (2011/12/21)

Nickel-catalyzed intermolecular benzylation and heterobenzylation of unactivated alkenes to provide functionalized allylbenzene derivatives are described. A wide range of both the benzyl chloride and alkene coupling partners are tolerated. In contrast to analogous palladium-catalyzed variants of this process, all reactions described herein employ electronically unbiased aliphatic olefins (including ethylene), proceed at room temperature, and provide 1,1-disubstituted olefins over the more commonly observed 1,2-disubstituted olefins with very high selectivity.

Practical iron-catalyzed allylations of aryl grignard reagents

Mayer, Matthias,Czaplik, Waldemar M.,Von Wangelin, Axel Jacobi

supporting information; experimental part, p. 2147 - 2152 (2010/12/18)

An operationally simple iron-catalyzed reductive cross-coupling reaction between aryl halides and allyl electrophiles has been developed. The underlying domino process exhibits high versatility with respect to the allylic leaving group (acetate, tosylate, diethyl phosphate, methyl carbonate, trimethylsilanolate, methanethiolate, chloride, bromide) and high economic and environmental sustainability with respect to the catalyst system (0.2-5 mol% tris(acetylacetonato)iron(III), ligand-free) and reaction conditions (tetrahydrofuran, 0°C, 45 min).

Intermolecular heck-type coupling of aryl iodides and allylic acetates

Mariampillai, Brian,Herse, Christelle,Laufens, Mark

, p. 4745 - 4747 (2007/10/03)

(Chemical Equation Presented) A palladium-catalyzed arylation of allylic acetates followed by β-acetoxy elimination was shown to produce Heck-type coupling products. Optimal reaction conditions employed ligand-free palladium on carbon in the presence of tetrabutylammonium chloride, a trialkylamine base, and water.

One-pot chemoselective functionalization of arylsilanes via cascade metal-metal exchange reactions

Hupe, Eike,Calaza, M. Isabel,Knochel, Paul

, p. 1390 - 1391 (2007/10/03)

A cascade-transmetallation sequence allows a one-pot conversion of arylsilanes into functionalized arylcoppers; they react with various types of electrophiles (allylic halides, acid chlorides, bromoalkynes); bimetallic zinc-copper-reagents can be prepared by this method either directly or in a sequential fashion.

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