P6514
Phenylacetylene
~98%
Synonym(s):
Ethynylbenzene
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About This Item
Linear Formula:
C6H5CCH
CAS Number:
Molecular Weight:
102.13
EC Number:
208-645-1
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
605461
MDL number:
InChI key
UEXCJVNBTNXOEH-UHFFFAOYSA-N
InChI
1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
SMILES string
C#Cc1ccccc1
vapor pressure
17.6 mmHg ( 37.7 °C)
assay
~98%
bp
142-144 °C (lit.)
density
0.93 g/mL at 25 °C (lit.)
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Kyoung Chul Ko et al.
The journal of physical chemistry. A, 116(25), 6837-6844 (2012-06-06)
The intramolecular magnetic coupling constant (J) values of diradical systems linked with two monoradicals through a coupler (para-substituted phenyl acetylene (Model I), meta-substituted phenyl acetylene (Model II), ethylene (Model III)) were investigated by unrestricted density functional theory calculations. We divided
Zhuofeng Ke et al.
Journal of the American Chemical Society, 134(37), 15418-15429 (2012-09-13)
Artificial metalloenzyme, composed of metal complex(es) and a host protein, is a promising way to mimic enzyme catalytic functions or develop novel enzyme-like catalysis. However, it is highly challenging to unveil the active site and exact reaction mechanism inside artificial
Ramalingam Boobalan et al.
Organic & biomolecular chemistry, 10(8), 1625-1638 (2012-01-13)
A series of Schiff base ligands were synthesized from (1R)-camphor. Under the optimal conditions, (+)-SBAIB-a, 10 was found to be an excellent catalyst for the enantioselective addition of phenylacetylene to various aldehydes without utilizing either achiral additives or Ti(O(i)Pr)(4). This
Hui Xu et al.
The Journal of organic chemistry, 76(8), 2448-2458 (2011-03-18)
An efficient synthesis of trisubstituted alkenes including 1,2-heterodisubstituted alkenes has been described. Reactions of thiols and amines with 1,1-dibromo-1-alkenes in the presence of TBAF·3H(2)O afford (Z)-2-bromovinyl sulfides and (Z)-2-bromovinyl amines regio- and stereoselectively. The reaction proceeds under catalyst-free conditions with
Zhouqing Xu et al.
Chemical communications (Cambridge, England), 48(46), 5736-5738 (2012-05-09)
[8+12]-metallamacrocycle-based 3D frameworks {[Cu(4)(pbt)(2)(SO(4))(2)(DMF)(2)(CH(3)OH)]·7H(2)O·DMF}(n) (1) and [12]-macrocycle 3D {[Cu(2)(pbt)(SO(4))(DMSO)(CH(3)OH)(2)]·5H(2)O·CH(3)OH}(n) (2) have been obtained. Both complexes display antiferromagnetic couplings and high catalytic activity in the oxidative coupling reaction of 1-ethynylbenzene and oxazolidin-2-one.
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