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

CAS: 637-59-2 Cat. No.: B106986 Formule: C₉H₁₁Br Poids moléculaire: 199.09 Beilstein Registry Number: 2205527 Numéro CE: 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

Vue d’ensemble

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

Synonymes

.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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488181682
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181682
• Sourires canoniques: 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
• Isomères SMILES: C1=CC=C(C=C1)CCCBr
• WGK Allemagne: 3
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (partly). Soluble in chloroform and methanol.
• Sensibilité: light sensitive；Moisture sensitive
• Indice de réfraction: 1.545-1.547
• Point d'éclair (°F): 215.6 °F
• Point d'éclair (°C): 101 °C
• Point d'ébullition (°C): 219-220°C
• Poids moléculaire: 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

Références

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]