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Merck
CN
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文件

安全信息

341258

Sigma-Aldrich

4,4-二甲基-1,3-环己二酮

98%

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About This Item

线性分子式:
(CH3)2C6H6(=O)2
CAS号:
562-46-9
分子量:
140.18
MDL编号:
MFCD00075224
UNSPSC代码:
12352100
PubChem化学物质编号:
24860917
NACRES:
NA.22

质量水平

100

检测方案

98%

bp

130 °C/7 mmHg (lit.)

mp

103-105 °C (lit.)

SMILES字符串

CC1(C)CCC(=O)CC1=O

InChI

1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3-5H2,1-2H3

InChI key

PLGPBTCNKJQJHQ-UHFFFAOYSA-N

相关类别

一般描述

Standard molar enthalpy of formation of 4,4-dimethyl-1,3-cyclohexanedione in the gaseous state at 298.15K has been determined.

应用

4,4-Dimethyl-1,3-cyclohexanedione was employed in the synthesis of series of 4-aryl-6,6-dimethyl-1,2,3,4,5,6,7,8- octahydroquinazoline-2,5-diones via Biginelli reaction.

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves, type N95 (US)

法规信息

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Thermochemical and theoretical studies on cyclohexanediones.
Pilcher G, et al.
The Journal of Physical Chemistry, 97(1), 243-247 (1993)
S Saraç et al.
Die Pharmazie, 56(4), 298-302 (2001-05-08)
In this study, a series of 4-aryl-6,6-dimethyl-1,2,3,4,5,6,7,8- octahydroquinazoline-2,5-diones were synthesized by condensing urea with 4,4-dimethyl-1,3-cyclohexanedione and appropriate aromatic aldehydes according to the Biginelli reaction. The structures of the compounds were characterized by spectroscopic methods. The racemic compounds were resolved into

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