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291390

Sigma-Aldrich

乙酸对甲苯酯

99%

同義詞:

乙酸对甲酚酯

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About This Item

線性公式:
CH3CO2C6H4CH3
CAS號碼:
140-39-6
分子量：:
150.17
EC號碼:
205-413-1
MDL號碼:
MFCD00008703
分類程式碼代碼:
12352100
PubChem物質ID:
24857530
NACRES:
NA.22

化驗

99%

折射率

n20/D 1.501 (lit.)

bp

210-211 °C (lit.)

密度

1.047 g/mL at 25 °C (lit.)

官能基

ester

SMILES 字串

CC(=O)Oc1ccc(C)cc1

InChI

1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3

InChI 密鑰

CDJJKTLOZJAGIZ-UHFFFAOYSA-N

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相關類別

一般說明

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.

應用

p-Tolyl acetate has been used in the total synthesis of (−)-incrustoporin.

象形圖

Exclamation mark
GHS07

訊號詞

Warning

危險聲明

H302

危險分類

Acute Tox. 4 Oral

儲存類別代碼

10 - Combustible liquids

水污染物質分類（WGK）

WGK 2

閃點（°F）

194.0 °F - closed cup

閃點（°C）

90 °C - closed cup

個人防護裝備

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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分析證明 (COA)

Lot/Batch Number
SHBM7511
SHBM7071
SHBM6342
SHBL7158
SHBL7156

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Fries rearrangement over zeolitic catalysts.
Vogt A, et al.
Applied Catalysis A: General, 123(1), 37-49 (1995)
Mechanistic studies of the photo-Fries reaction.
Sandner MR, et al.
Journal of the American Chemical Society, 90(26), 7249-7254 (1968)
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

文章

Fries Rearrangement

The Fries rearrangement reaction is an organic name reaction which involves the conversion of phenolic esters into hydroxyaryl ketones on heating in the presence of a catalyst. Suitable catalysts for this reaction are Brønsted or Lewis acids such as HF, AlCl3, BF3, TiCl4, or SnCl4. The Fries rearrangement reaction is an ortho, para-selective reaction, and is used in the preparation of acyl phenols. This organic reaction has been named after German chemist Karl Theophil Fries.

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