Benzene, 1,3-dimethyl-2-(phenylethynyl)-

Base Information

Chemical Name:Benzene, 1,3-dimethyl-2-(phenylethynyl)-
CAS No.:180783-48-6
Molecular Formula:C16H14
Molecular Weight:206.287
Hs Code.:
DSSTox Substance ID:DTXSID20478368
Nikkaji Number:J741.106E
Wikidata:Q82311714
Mol file:180783-48-6.mol

Synonyms:Benzene, 1,3-dimethyl-2-(phenylethynyl)-;180783-48-6;1,3-DIMETHYL-2-(2-PHENYLETHYNYL)BENZENE;2-(Phenylethynyl)-m-xylene;DZWZTZPTYKJAIF-UHFFFAOYSA-;DTXSID20478368;1,3-dimethyl-2-(phenylethynyl)benzene;InChI=1/C16H14/c1-13-7-6-8-14(2)16(13)12-11-15-9-4-3-5-10-15/h3-10H,1-2H3

Suppliers and Price of Benzene, 1,3-dimethyl-2-(phenylethynyl)-

Supply Marketing:

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

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Chemical Property of Benzene, 1,3-dimethyl-2-(phenylethynyl)-

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:206.109550447
Heavy Atom Count:16
Complexity:261

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1,3-dimethyl-2-(phenylethynyl)-

There total 22 articles about Benzene, 1,3-dimethyl-2-(phenylethynyl)- 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%

: 576-22-7
2-Bromo-m-xylene

: 536-74-3
phenylacetylene

: 180783-48-6
2,6-dimethyl-1-(phenylethynyl)benzene

Guidance literature:: With dichloro bis(acetonitrile) palladium(II); caesium carbonate; XPhos; In water; at 20 ℃; Inert atmosphere; Micellar solution;
DOI:10.1021/ol801471f

Reference yield: 99.0%

: 6781-98-2
2,6-dimethyl-1-chlorobenzene

: 1719-19-3
2-Methyl-4-phenyl-3-butyn-2-ol

: 180783-48-6
2,6-dimethyl-1-(phenylethynyl)benzene

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: 98.0%

: 608-28-6
2,6-dimethyliodobenzene

: 536-74-3
phenylacetylene

: 180783-48-6
2,6-dimethyl-1-(phenylethynyl)benzene

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; (triphenylphosphine)gold(I) chloride; triethylamine; In N,N-dimethyl-formamide; at 80 ℃; for 1h; Inert atmosphere;
DOI:10.1016/j.tetlet.2009.11.003