Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)-

Base Information

Chemical Name:Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)-
CAS No.:540492-28-2
Molecular Formula:C12H14O2
Molecular Weight:190.242
Hs Code.:
DSSTox Substance ID:DTXSID90463862
Nikkaji Number:J1.986.696C
Wikidata:Q82288929

Synonyms:540492-28-2;Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)-;DTXSID90463862

Suppliers and Price of Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)-

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-ethynyl-3-methoxy-2-(1-methylethoxy)-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:190.099379685
Heavy Atom Count:14
Complexity:214

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC1=C(C=CC=C1OC)C#C

Technology Process of Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)-

There total 3 articles about Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)- 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: 76.0%

: 615253-13-9
1-(2,2-dibromo-vinyl)-2-isopropoxy-3-methoxy-benzene

: 540492-28-2
(2-isopropoxy-3-methoxyphenyl)acetylene

Guidance literature:: With n-butyllithium; In tetrahydrofuran; at -78 - 20 ℃; for 3h;
DOI:10.1021/ol0353060

Reference yield:

: 148-53-8
3-methoxy-2-hydroxybenzaldehyde

: 540492-28-2
(2-isopropoxy-3-methoxyphenyl)acetylene

Guidance literature:: Multi-step reaction with 3 steps

1.1: K₂CO₃ / dimethylformamide / 4 h / 100 °C

2.1: triphenylphosphine / CH₂Cl₂ / 0.25 h / 0 °C

2.2: 61 percent / CH₂Cl₂ / 0.83 h / 0 - 20 °C

3.1: 76 percent / n-BuLi / CH₂Cl₂; hexane / 3.25 h / cooling

With n-butyllithium; potassium carbonate; triphenylphosphine; In hexane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.tet.2005.02.014

Reference yield:

: 75792-35-7
2-isopropoxy-3-methoxy-benzaldehyde

: 540492-28-2
(2-isopropoxy-3-methoxyphenyl)acetylene

Guidance literature:: Multi-step reaction with 2 steps

1.1: triphenylphosphine / CH₂Cl₂ / 0.25 h / 0 °C

1.2: 61 percent / CH₂Cl₂ / 0.83 h / 0 - 20 °C

2.1: 76 percent / n-BuLi / CH₂Cl₂; hexane / 3.25 h / cooling

With n-butyllithium; triphenylphosphine; In hexane; dichloromethane;
DOI:10.1016/j.tet.2005.02.014