C101605
1,3-环己二酮
97%
别名:
二氢间苯二酚
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关于此项目
线性分子式:
C6H8(=O)2
化学文摘社编号:
分子量:
112.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-980-0
Beilstein/REAXYS Number:
385888
MDL number:
产品名称
1,3-环己二酮, 97%
InChI key
HJSLFCCWAKVHIW-UHFFFAOYSA-N
InChI
1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
SMILES string
O=C1CCCC(=O)C1
assay
97%
form
powder
contains
1-3% sodium chloride as stabilizer
mp
101-105 °C (lit.)
storage temp.
2-8°C
Quality Level
Gene Information
human ... ACHE(43), BCHE(590), CES1(1066)
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Application
1,3-环己二酮可作为建构单元，进行以下合成反应：
- 通过醛醇缩合/迈克尔（Michael）加成反应与未活化的醛反应，合成9-取代的1,8-二氧杂蒽。
- 与邻苯二甲酰肼、芳香族炔丙氧基醛和叠氮化物经四组分缩合反应，合成[（1,2,3-三唑-4-基）甲氧基-苯基]-2H-吲唑并[2,1-b]酞嗪-三酮衍生物。
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1
存储类别
13 - Non Combustible Solids
wgk
WGK 2
ppe
Eyeshields, Gloves, type N95 (US)
Clean synthesis of 1, 8-dioxo-dodecahydroxanthene derivatives catalyzed by polyaniline-p-toluenesulfonate salt in aqueous media
John A, et al.
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Ytterbium triflate catalyzed synthesis of ?-enaminones
Epifano F, et al.
Tetrahedron Letters, 48(15), 2717-2720 (2007)
K7 [PW11CoO40]-catalyzed one-pot synthesis of polyhydroquinoline derivatives via the Hantzsch three component condensation
Heravi MM, et al.
J. Mol. Catal. A: Chem., 264(1-2), 50-52 (2007)
Reactions of methylated 5-chloro-1,2,3-thiadiazolium salts with cyclohexane-1,3-diones: X-ray crystal structure analysis of the thiapentalenic products
Gerrit L, et al.
Journal of the Chemical Society. Perkin Transactions 1, 3051-3051 (1993)
Combining click-multicomponent reaction: one-pot synthesis of triazolyl methoxy-phenyl indazolo [2, 1-b] phthalazine-trione derivatives
Salehi P, et al.
Molecular Diversity, 16(2), 231-240 (2012)
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