Cas no 119027-36-0 (1-Bromo-4-(2-methoxypropan-2-yl)benzene)

1-Bromo-4-(2-methoxypropan-2-yl)benzene is a brominated aromatic compound featuring a methoxy-substituted isopropyl group at the para position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki or Heck couplings. The electron-donating methoxy group enhances stability while influencing the electronic properties of the benzene ring, facilitating selective functionalization. Its well-defined molecular architecture is advantageous for constructing complex frameworks in pharmaceuticals, agrochemicals, and materials science. The compound’s purity and consistent performance under controlled conditions ensure reliable outcomes in research and industrial applications.
1-Bromo-4-(2-methoxypropan-2-yl)benzene structure
119027-36-0 structure
Product Name:1-Bromo-4-(2-methoxypropan-2-yl)benzene
CAS No:119027-36-0
MF:C10H13BrO
MW:229.113622426987
MDL:MFCD18205636
CID:1208442
PubChem ID:15072385
Update Time:2025-06-11

1-Bromo-4-(2-methoxypropan-2-yl)benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-bromo-4-(1-methoxy-1-methylethyl)-
    • 1-bromo-4-(2-methoxypropan-2-yl)benzene
    • 1-Bromo-4-(1-methoxy-1-methyl-ethyl)-benzene
    • 119027-36-0
    • AKOS030238894
    • 1-Bromo-4-(1-methoxy-1-methylethyl)-benzene
    • Z1269200225
    • DTXSID40567809
    • SVSUUYAOGAZDBT-UHFFFAOYSA-N
    • EN300-317830
    • SCHEMBL1738300
    • DA-29647
    • 1-Bromo-4-(2-methoxypropan-2-yl)benzene
    • MDL: MFCD18205636
    • Inchi: 1S/C10H13BrO/c1-10(2,12-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
    • InChI Key: SVSUUYAOGAZDBT-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C(C)(C)OC

Computed Properties

  • Exact Mass: 228.01499
  • Monoisotopic Mass: 228.01498g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 137
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 244.1±15.0 °C at 760 mmHg
  • Flash Point: 96.6±21.5 °C
  • PSA: 9.23
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

1-Bromo-4-(2-methoxypropan-2-yl)benzene Security Information

1-Bromo-4-(2-methoxypropan-2-yl)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B417370-10mg
1-Bromo-4-(2-methoxypropan-2-yl)benzene
119027-36-0
10mg
$ 50.00 2022-06-07
TRC
B417370-50mg
1-Bromo-4-(2-methoxypropan-2-yl)benzene
119027-36-0
50mg
$ 160.00 2022-06-07
TRC
B417370-100mg
1-Bromo-4-(2-methoxypropan-2-yl)benzene
119027-36-0
100mg
$ 275.00 2022-06-07
Enamine
EN300-317830-0.05g
1-bromo-4-(2-methoxypropan-2-yl)benzene
119027-36-0 95.0%
0.05g
$174.0 2025-03-19
Enamine
EN300-317830-0.1g
1-bromo-4-(2-methoxypropan-2-yl)benzene
119027-36-0 95.0%
0.1g
$257.0 2025-03-19
Enamine
EN300-317830-0.25g
1-bromo-4-(2-methoxypropan-2-yl)benzene
119027-36-0 95.0%
0.25g
$367.0 2025-03-19
Enamine
EN300-317830-0.5g
1-bromo-4-(2-methoxypropan-2-yl)benzene
119027-36-0 95.0%
0.5g
$579.0 2025-03-19
Enamine
EN300-317830-1.0g
1-bromo-4-(2-methoxypropan-2-yl)benzene
119027-36-0 95.0%
1.0g
$743.0 2025-03-19
Enamine
EN300-317830-2.5g
1-bromo-4-(2-methoxypropan-2-yl)benzene
119027-36-0 95.0%
2.5g
$1454.0 2025-03-19
Enamine
EN300-317830-5.0g
1-bromo-4-(2-methoxypropan-2-yl)benzene
119027-36-0 95.0%
5.0g
$2152.0 2025-03-19

Additional information on 1-Bromo-4-(2-methoxypropan-2-yl)benzene

Introduction to 1-Bromo-4-(2-methoxypropan-2-yl)benzene (CAS No. 119027-36-0) and Its Applications in Modern Chemical Research

1-Bromo-4-(2-methoxypropan-2-yl)benzene, identified by the Chemical Abstracts Service Number (CAS No.) 119027-36-0, is a significant compound in the realm of organic chemistry and pharmaceutical research. This aromatic brominated derivative features a unique structural motif that has garnered considerable attention due to its versatile reactivity and potential applications in drug discovery and material science. The compound's molecular framework, comprising a bromine substituent at the para position relative to a secondary butyl ether group, makes it an intriguing candidate for further exploration in synthetic chemistry and medicinal chemistry.

The structural configuration of 1-Bromo-4-(2-methoxypropan-2-yl)benzene (CAS No. 119027-36-0) is highly conducive to various chemical transformations. The presence of both a bromine atom and an electron-donating methoxy group at the aromatic ring enhances its participation in nucleophilic aromatic substitution (SNAr) reactions, making it a valuable intermediate in the synthesis of more complex molecules. Additionally, the secondary butyl ether side chain introduces steric and electronic effects that can influence the compound's reactivity and selectivity in different chemical pathways.

In recent years, there has been growing interest in exploring the pharmacological potential of 1-Bromo-4-(2-methoxypropan-2-yl)benzene (CAS No. 119027-36-0) and its derivatives. Researchers have been investigating its role as a precursor in the development of novel therapeutic agents, particularly those targeting neurological disorders and inflammatory conditions. The compound's ability to undergo functionalization at multiple sites allows for the creation of structurally diverse analogs, each with distinct biological activities. For instance, modifications at the bromine substituent or the butyl ether moiety can lead to compounds with enhanced binding affinity to specific biological targets.

One notable area of research involving 1-Bromo-4-(2-methoxypropan-2-yl)benzene (CAS No. 119027-36-0) is its application in the synthesis of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways, and dysregulation of these pathways is often associated with various diseases, including cancer. By leveraging the compound's reactive sites, chemists have been able to design molecules that selectively inhibit specific kinases, thereby offering potential therapeutic benefits. Preliminary studies have shown promising results in vitro, suggesting that derivatives of this compound may exhibit significant pharmacological activity.

The versatility of 1-Bromo-4-(2-methoxypropan-2-yl)benzene (CAS No. 119027-36-0) also extends to material science applications. Its aromatic structure and functional groups make it suitable for use in polymer chemistry and as a monomer for creating novel materials with tailored properties. For example, researchers have explored its incorporation into conductive polymers, where its electron-donating groups can enhance charge transport properties. Additionally, the compound's ability to form stable complexes with metal ions has opened up possibilities for its use in catalysis and as a ligand in coordination chemistry.

The synthesis of 1-Bromo-4-(2-methoxypropan-2-yl)benzene (CAS No. 119027-36-0) typically involves multi-step organic reactions starting from commercially available precursors such as anisole (methyl phenyl ether). Key steps include bromination at the desired position on the aromatic ring followed by selective alkylation with 2-methylpropene oxide (also known as methyl vinyl ether). Advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions have also been employed to achieve higher regioselectivity and yield.

In conclusion, 1-Bromo-4-(2-methoxypropan-2-yl)benzene (CAS No. 119027-36-0) is a multifaceted compound with significant potential in both pharmaceuticals and materials science. Its unique structural features enable diverse chemical transformations, making it a valuable building block for drug discovery and material innovation. As research continues to uncover new applications for this compound, it is likely to remain a cornerstone in synthetic chemistry and industrial applications.

Recommended suppliers
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司