1,3-Cyclohexadiene - ≥95%, contains 0.1% BHT as stabilizer , CAS No.592-57-4

CAS: 592-57-4 Cat. No.: C189164 Peso molecular: 80.13 Beilstein Registry Number: 506024 Número EC: 209-764-1

GRADE & PURITY ≥95%, contains 0.1% BHT as stabilizer

Synonyms

1,3-CYCLOHEXADIENE|Cyclohexa-1,3-diene|592-57-4|CYCLOHEXADIENE|1,2-dihydrobenzene|JV5W0EG5BP|29797-09-9|1165952-91-9|Cyclohexadiene-1,3|EINECS 209-764-1|UNII-JV5W0EG5BP|MFCD00001532|cyclohexa-1|1,3 cyclohexadiene|2,4-cyclohexadiene|EINECS 249-853-2|1,-3-c

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Descripción general

Application

1,3-Cyclohexadiene can undergo:

·C-C coupling with aromatic alcohols via iridium-catalyzed hydrogen auto-transfer and with aldehydes via transfer hydrogenation mediated by isopropanol to form carbonyl addition products.

·Living anionic polymerization with n-BuLi/TMEDA system to form polycyclohexadiene.

·Platinum-catalyzed silaboration to form (1R,4S)-1-(dimethylphenylsilyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-cyclohexene.

·Aerobic palladium-catalyzed 1,4-diacetoxylation in the presence of cobalt tetra(hydroquinone)porphyrin as an electron transfer reagent.

Specifications

Sinónimos

1, 3-CYCLOHEXADIENE | Cyclohexa-1, 3-diene | 592-57-4 | CYCLOHEXADIENE | 1, 2-dihydrobenzene | JV5W0EG5BP | 29797-09-9 | 1165952-91-9 | Cyclohexadiene-1, 3 | EINECS 209-764-1 | UNII-JV5W0EG5BP | MFCD00001532 | cyclohexa-1 | 1, 3 cyclohexadiene | 2, 4-cyclohexadiene | EINECS 249-853-2 | 1, -3-c

Especificaciones y pureza

≥95%, contains 0.1% BHT as stabilizer

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CC=CC=C1
• IUPAC Name: cyclohexa-1,3-diene
• InChIKey: MGNZXYYWBUKAII-UHFFFAOYSA-N
• INCHI: 1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
• Isómeros SMILES: C1CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 80.13
• Beilstein: 506024
• Reaxy-Rn: 506024
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506024&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Unsaturated hydrocarbons
      • Subclass Olefins

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic olefins
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic olefin - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclic olefins. These are olefins that contain at least one ring in their structure.
• External Descriptors: cyclohexadiene

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

Propiedades químicas y físicas

• Solubilidad: Slightly miscible with methanol. Immiscible with water
• Sensibilidad: heat sensitive
• Índice de refracción: 1.474
• Punto de inflamación (°F): 17.6 °F
• Punto de inflamación (°C): -8 °C
• Punto de ebullición (°C): 80 °C
• Peso molecular: 80.130 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 80.0626 Da
• Monoisotopic Mass: 80.0626 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 66.000
• 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. Jinxiu Hu, Xianlong Liu, Yi Liu, Kang Xue, Chengxiang Shi, Xiangwen Zhang, Li Wang, Ji-Jun Zou, Lun Pan.  (2023)  Photoinduced transposed Paternò-Büchi reaction for effective synthesis of high-performance jet fuel.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2023.09.014]

2. Junjian Xie, Xiangwen Zhang, Chengxiang Shi, Lun Pan, Fang Hou, Genkuo Nie, Jiawei Xie, Qing Liu, Ji-Jun Zou.  (2019)  Self-photosensitized [2 + 2] cycloaddition for synthesis of high-energy-density fuels.  Sustainable Energy & Fuels,  4  (2): (911-920).  [PMID:] [10.1039/C9SE00863B]

3. Qiong Wu, Tianfeng Chen, Zhao Zhang, Siyan Liao, Xiaohui Wu, Jian Wu, Wenjie Mei, Yanhua Chen, Weili Wu, Lingli Zeng, Wenjie Zheng.  (2014)  Microwave-assisted synthesis of arene ruthenium(II) complexes [(η6-RC6H5)Ru(m-MOPIP)Cl]Cl (R = -H and -CH3) as groove binder to c-myc G4 DNA.  DALTON TRANSACTIONS,  43  (24): (9216-9225).  [PMID:24818221] [10.1039/C3DT53635A]