C100005
1,3-环己二烯
contains 0.05% BHT as inhibitor, 97%
别名:
1,2-二氢苯
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关于此项目
经验公式（希尔记法）:
C6H8
化学文摘社编号:
分子量:
80.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
209-764-1
Beilstein/REAXYS Number:
506024
MDL number:
产品名称
1,3-环己二烯, contains 0.05% BHT as inhibitor, 97%
InChI
1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
InChI key
MGNZXYYWBUKAII-UHFFFAOYSA-N
SMILES string
C1CC=CC=C1
assay
97%
form
liquid
contains
0.05% BHT as inhibitor
refractive index
n20/D 1.474 (lit.)
bp
80 °C (lit.)
density
0.841 g/mL at 25 °C (lit.)
storage temp.
2-8°C
Quality Level
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Application
1,3-环己二烯可以通过：
- 铱催化的氢自动转移与芳香醇进行C-C偶联，并通过异丙醇介导的转移氢化与醛发生偶联，从而形成羰基加成产物。
- 与n-BuLi/TMEDA系统发生活性阴离子聚合，从而形成聚环己二烯。
- 铂催化的硅烷化形成（1R，4S）-1-（二甲基苯基）-4-（4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基）-2-环己烯。
- 在作为电子转移试剂的四（氢醌）卟啉钴存在下，进行需氧钯催化的1,4-二乙酰氧基化。
signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
66.0 °F
flash_point_c
18.9 °C
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
Nicolas J Saettel et al.
Journal of the American Chemical Society, 124(38), 11552-11559 (2002-09-19)
The electron-transfer-catalyzed Diels-Alder reaction of indole and 1,3-cyclohexadiene was studied by a combination of experimental and theoretical methods. The (13)C kinetic isotope effects were determined at natural abundance by NMR methodology. B3LYP/6-31G* calculations allow for the first time a quantitatively
Synthesis of polymers with an alicyclic structure in the main chain. Living anionic polymerization of 1, 3-cyclohexadiene with the n-butyllithium/N, N, N ′, N′-tetramethyl-ethylenediamine system.
Natori I.
Macromolecules, 30(12), 3696-3697 (1997)
Takumi Oshima et al.
Organic & biomolecular chemistry, 10(9), 1730-1734 (2012-01-13)
The first CH/π solute-solvent interaction of C(60) was evidenced by the kinetic solvent effects in the Diels-Alder reaction with 1,3-cyclohexadiene based on the evaluation of linear free energy relationship of log k(2) with empirical solvent polarity and basicity parameters, E(T)(30)
Cobalt Tetra (hydroquinone) porphyrin: An Efficient Electron Transfer Reagent in Aerobic Pd?Catalyzed 1, 4?Diacetoxylation of 1, 3?Cyclohexadiene.
Grennberg H, et al.
Angewandte Chemie (International Edition in English), 32(2), 263-264 (1993)
Yasushi Obora et al.
The Journal of organic chemistry, 75(17), 6046-6049 (2010-08-05)
Intermolecular [2+2+2] cycloaddition of tert-butylacetylene with alpha,omega-dienes was successfully achieved by NbCl(3)(DME) catalyst to afford 5-omega-alkenyl-1,4-disubstituted-1,3-cyclohexadienes in excellent yields with high chemo- and regioselectivity.
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