1-METHOXY-4-PHENYLETHYNYL-BENZENE

Base Information

• Chemical Name: 1-METHOXY-4-PHENYLETHYNYL-BENZENE
• CAS No.: 7380-78-1
• Molecular Formula: C15H12O
• Molecular Weight: 208.26
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10346209
• Nikkaji Number: J101.755A
• Wikidata: Q72486216
• Mol file: 7380-78-1.mol

Synonyms:Anisole, p-(phenylethynyl)- (6CI,7CI,8CI);;Benzene, 1-methoxy-4-(phenylethynyl)- (9CI);1-[2-(4-Methoxyphenyl)ethynyl]benzene;4-(Phenylethynyl)anisole;4-Methoxydiphenylacetylene;4-Methoxytolan;p-Anisyl phenylacetylene;p-Methoxydiphenylacetylene;p-Methoxytolan;1-(p-Anisyl)-2-phenylacetylene;1-(4-Methoxyphenyl)-2-phenylethyne;1-Phenyl-2-(4-methoxyphenyl)acetylene;(4-Methoxyphenyl)phenylethyne;(4-Methoxyphenyl)phenylacetylene;

Chemical Property of 1-METHOXY-4-PHENYLETHYNYL-BENZENE

Chemical Property:

• Melting Point: 95℃
• Boiling Point: 339.007 °C at 760 mmHg
• Flash Point: 155.389 °C
• PSA: 9.23000
• Density: 1.103 g/cm³
• LogP: 3.09500
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 208.088815002
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

98%Min ^*data from raw suppliers

1-Methoxy-4-phenylethynyl-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C#CC2=CC=CC=C2

Technology Process of 1-METHOXY-4-PHENYLETHYNYL-BENZENE

There total 266 articles about 1-METHOXY-4-PHENYLETHYNYL-BENZENE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

4-methoxyphenylboronic acid (5720-07-0) + 1-Bromo-2-phenylacetylene (932-87-6) → 4-(phenylethynyl)anisole (7380-78-1)

Guidance literature:

With copper(l) iodide; 8-quinolinol; sodium phosphate; In ethanol; at 80 ℃; for 24h;

DOI:10.1016/j.tet.2011.05.031

Reference yield: 98.0%

para-iodoanisole (696-62-8) + phenylacetylene (536-74-3) → 4-(phenylethynyl)anisole (7380-78-1) + 1,4-diphenyl-1,3-butadiyne (886-66-8)

Guidance literature:

With copper(l) iodide; hydrogen; triethylamine; bis-triphenylphosphine-palladium(II) chloride; at 20 ℃; for 3h;

DOI:10.1021/ol034320+

Reference yield: 97.0%

1-Bromo-2-phenylacetylene (932-87-6) + potassium 4-(methoxy)phenyltrifluoroborate → 4-(phenylethynyl)anisole (7380-78-1)

Guidance literature:

With copper(l) iodide; 8-quinolinol; sodium phosphate; In ethanol; at 80 ℃; for 24h;

DOI:10.1016/j.tet.2011.05.031

upstream raw materials:

(α,α'-dibromo-bibenzyl-4-yl)-methyl ether

4-Methoxybenzophenone

diethyl diazomethylphosphonate

copper(I) phenylacetylenide

Downstream raw materials:

5-(1,1,1,3,3,3-Hexamethyl-disilazan-2-yl)-4-(4-methoxy-phenyl)-3-phenyl-1H-pyrrole-2-carbonitrile

5-(1,1,1,3,3,3-Hexamethyl-disilazan-2-yl)-3-(4-methoxy-phenyl)-4-phenyl-1H-pyrrole-2-carbonitrile

2-(4-methoxyphenyl)-3-phenyl-1H-inden-1-one

3-(4-methoxyphenyl)-2-phenyl-1H-inden-1-one

Refernces

• 1、 Alinezhad, Heshmatollah,Ghasemi, Shahram,Kiani, Ameneh. "Pd nanoparticles catalyst supported on TMU-16-NH2 metal-organic framework for Sonogashira cross-coupling reaction". . . Retrieved 2021/12/10.
• 2、 Chen, Xing,Li, Mengke,Liu, Zhipeng,Yang, Can,Xie, Haisheng,Hu, Xinwei,Su, Shi-Jian,Jiang, Huanfeng,Zeng, Wei. "Bimetal Cooperatively Catalyzed Arylalkynylation of Alkynylsilanes". supporting information. p. 6724 - 6728. Retrieved 2021/09/08.