1-((4-Methoxyphenyl)ethynyl)-3-methylbenzene

Base Information

Chemical Name:1-((4-Methoxyphenyl)ethynyl)-3-methylbenzene
CAS No.:827574-77-6
Molecular Formula:C₁₆H₁₄O
Molecular Weight:222.287
Hs Code.:
DSSTox Substance ID:DTXSID70478797
Nikkaji Number:J2.141.839K
Wikidata:Q82312409
Mol file:827574-77-6.mol

Synonyms:827574-77-6;1-((4-methoxyphenyl)ethynyl)-3-methylbenzene;1-[(4-Methoxyphenyl)ethynyl]-3-methylbenzene;DTXSID70478797

Suppliers and Price of 1-((4-Methoxyphenyl)ethynyl)-3-methylbenzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 1-((4-Methoxyphenyl)ethynyl)-3-methylbenzene

Chemical Property:

PSA：9.23000
LogP:3.40340
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:222.104465066
Heavy Atom Count:17
Complexity:287

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC=C1)C#CC2=CC=C(C=C2)OC

Technology Process of 1-((4-Methoxyphenyl)ethynyl)-3-methylbenzene

There total 16 articles about 1-((4-Methoxyphenyl)ethynyl)-3-methylbenzene 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%

: 625-95-6
3-Iodotoluene

: 768-60-5
4-methoxyphenylacetylen

: 827574-77-6
1-[2-(4-methoxyphenyl)ethynyl]-3-methylbenzene

Guidance literature:: With copper(l) iodide; 2,2'-diamino-6,6'-dimethylbiphenyl; sodium hydroxide; In dimethyl sulfoxide; at 115 ℃; for 24h; Inert atmosphere;
DOI:10.1246/bcsj.20100327

Reference yield: 96.0%

: 623-12-1
4-chloromethoxybenzene

: 63079-66-3
2-methyl-4-(3'-methylphenyl)but-3-yn-2-ol

: 827574-77-6
1-[2-(4-methoxyphenyl)ethynyl]-3-methylbenzene

Guidance literature:: With {(Pd{Fe(η5-C5H5)(η5-C5H3C(CH3)=NC6H4CH3-4)}(μ-Cl))2}; potassium carbonate; XPhos; In acetonitrile; at 110 ℃; for 16h; Inert atmosphere;
DOI:10.1021/jo4014657

Reference yield: 95.0%

: 696-62-8
para-iodoanisole

: 766-82-5
1-ethynyl-3-methyl-benzene

: 827574-77-6
1-[2-(4-methoxyphenyl)ethynyl]-3-methylbenzene

Guidance literature:: With potassium carbonate; copper(II) oxide; In dimethyl sulfoxide; at 160 ℃; for 12h; Inert atmosphere;
DOI:10.1055/s-0030-1260023