1-Bromo-3-phenylpropane - ≥98% , CAS No.637-59-2

CAS: 637-59-2 Cat. No.: B106986 Fórmula: C₉H₁₁Br Peso molecular: 199.09 Beilstein Registry Number: 2205527 Número EC: 211-294-7

GRADE & PURITY ≥98%

Synonyms

.GAMMA.-BROMOPROPYL)BENZENE | (3-Bromopropyl)benzene, 3-Phenylpropyl bromide, Hydrocinnamyl bromide | l-bromo-3-phenylpropane | SCHEMBL81831 | 1-bromo-3-phenyl-propane | 1bromo-3-phenylpropane | (gamma-Bromopropyl)benzene | A834512 | 1-(bromo-propyl)-benz

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Application：

1-Bromo-3-phenylpropane is used in the synthesis of MraY natural inhibitors as antibacterial agents. Also used in the preparation of quinolinone derivatives as potent and selective MAO-B inhibitors.

Specifications

Sinónimos

.GAMMA.-BROMOPROPYL)BENZENE | (3-Bromopropyl)benzene, 3-Phenylpropyl bromide, Hydrocinnamyl bromide | l-bromo-3-phenylpropane | SCHEMBL81831 | 1-bromo-3-phenyl-propane | 1bromo-3-phenylpropane | (gamma-Bromopropyl)benzene | A834512 | 1-(bromo-propyl)-benz

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181682
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181682
• Sonrisas canónicas: C1=CC=C(C=C1)CCCBr
• IUPAC Name: 3-bromopropylbenzene
• InChIKey: XMZQWZJMTBCUFT-UHFFFAOYSA-N
• INCHI: 1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
• Isómeros SMILES: C1=CC=C(C=C1)CCCBr
• WGK Alemania: 3
• Peso molecular: 199.09
• Beilstein: 2205527
• Reaxy-Rn: 2205527
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly). Soluble in chloroform and methanol.
• Sensibilidad: light sensitive；Moisture sensitive
• Índice de refracción: 1.545-1.547
• Punto de inflamación (°F): 215.6 °F
• Punto de inflamación (°C): 101 °C
• Punto de ebullición (°C): 219-220°C
• Peso molecular: 199.090 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 198.004 Da
• Monoisotopic Mass: 198.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 74.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yani Ma, Yao Chen, Feixia Peng, Xueqin Ding.  (2022)  Phenylpropyl Guanidinium Magnetic Ionic Liquid for Green and Selective Extraction of RNA.  LANGMUIR,      [PMID:36245232] [10.1021/acs.langmuir.2c01763]

2. Ya-Xing Dai, Xian-Li Zhang, Si-Yuan Liu, Feng-Run-Ze Zhang, Yi-Xi Zhang, Yu-Tong Sang, Jing-Xi Zheng, Zhao-Sheng Liu, Peng Zhang.  (2024)  Syntheses and properties of associative acrylamide copolymers containing short hydrophobic chains used in a friction reducer for slick-water fracturing.  Petroleum Science,      [PMID:] [10.1016/j.petsci.2024.03.013]

3. Xiaojie Zhao, Kaifeng Tan, Jun Xing.  (2018)  A flexible and convenient strategy for synthesis of ionic liquid bonded polysiloxane stationary phases.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30580961] [10.1016/j.chroma.2018.12.021]