291390
乙酸对甲苯酯
99%
别名:
乙酸对甲酚酯
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关于此项目
线性分子式:
CH3CO2C6H4CH3
化学文摘社编号:
分子量:
150.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
205-413-1
MDL number:
Assay:
99%
InChI key
CDJJKTLOZJAGIZ-UHFFFAOYSA-N
InChI
1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
SMILES string
CC(=O)Oc1ccc(C)cc1
assay
99%
refractive index
n20/D 1.501 (lit.)
bp
210-211 °C (lit.)
density
1.047 g/mL at 25 °C (lit.)
functional group
ester
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General description
The Fries rearrangement of p-tolyl acetate has been investigated using the H-form of various zeolites as catalysts. Mechanism of photo-Fries rearrangement of p-tolyl acetate has been studied.
Application
p-Tolyl acetate has been used in the total synthesis of (−)-incrustoporin.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
存储类别
10 - Combustible liquids
wgk
WGK 2
flash_point_f
194.0 °F - closed cup
flash_point_c
90 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
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Mechanistic studies of the photo-Fries reaction.
Sandner MR, et al.
Journal of the American Chemical Society, 90(26), 7249-7254 (1968)
Fries rearrangement over zeolitic catalysts.
Vogt A, et al.
Applied Catalysis A: General, 123(1), 37-49 (1995)
Q Yu et al.
Journal of Asian natural products research, 1(3), 183-188 (2001-03-20)
(-)-Incrustoporin (1) has been synthesized using aldol condensation of ethyl p-tolyl-acetate (2) and (2R)-benzoyloxy-butanal (3), followed by acid-catalyzed deprotection of the benzoyl group, lactone ring-closure, and elimination of the beta-OH in a one-pot manner. The aldehyde 3 was prepared from
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
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Quantum dots (QDs): Semiconductor nanoparticles with diverse applications including displays, lighting, and biomedical imaging.
Fries重排反应是一类重要的有机人名反应，它涉及在催化剂存在下加热时将酚酯转化成邻位或对位酰基酚。
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