Methyl 4-methyl-2-(1-pentyn-1-yl)benzeneacetate

Base Information

Chemical Name:Methyl 4-methyl-2-(1-pentyn-1-yl)benzeneacetate
CAS No.:344443-58-9
Molecular Formula:C₁₅H₁₈O₂
Molecular Weight:230.307
Hs Code.:
DSSTox Substance ID:DTXSID701241189

Synonyms:Methyl 4-methyl-2-(1-pentyn-1-yl)benzeneacetate;DTXSID701241189;344443-58-9

Suppliers and Price of Methyl 4-methyl-2-(1-pentyn-1-yl)benzeneacetate

Supply Marketing:

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

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Chemical Property of Methyl 4-methyl-2-(1-pentyn-1-yl)benzeneacetate

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:230.130679813
Heavy Atom Count:17
Complexity:307

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC#CC1=C(C=CC(=C1)C)CC(=O)OC

Technology Process of Methyl 4-methyl-2-(1-pentyn-1-yl)benzeneacetate

There total 3 articles about Methyl 4-methyl-2-(1-pentyn-1-yl)benzeneacetate 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: 50.0%

: 19093-51-7
1-pentynyl copper

: 90585-27-6
methyl 2-iodo-4-methylphenylacetate

: 344443-58-9
methyl 4-methyl-2-(1-pentyl)phenylacetate

Guidance literature:: In N,N-dimethyl-formamide; for 20h; Heating;
DOI:10.1021/ja00327a026

Reference yield:

: 622-47-9
4-tolylacetic acid

: 344443-58-9
methyl 4-methyl-2-(1-pentyl)phenylacetate

Guidance literature:: Multi-step reaction with 3 steps

1: 1) Tl(TFA)3, 2) KI / 1) TFA, r.t., 48 h, 2) H₂O, reflux, 5 h

2: 100 percent / concd. H₂SO₄ / 2 h / Heating

3: 50 percent / dimethylformamide / 20 h / Heating

With sulfuric acid; potassium iodide; thallium(III) trifluoroacetate; In N,N-dimethyl-formamide;
DOI:10.1021/ja00327a026

Reference yield:

: 90585-28-7
2-(2-iodo-4-methylphenyl)acetic acid

: 344443-58-9
methyl 4-methyl-2-(1-pentyl)phenylacetate

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / concd. H₂SO₄ / 2 h / Heating

2: 50 percent / dimethylformamide / 20 h / Heating

With sulfuric acid; In N,N-dimethyl-formamide;
DOI:10.1021/ja00327a026