1-Ethynyl-2-methoxybenzene

Base Information

• Chemical Name: 1-Ethynyl-2-methoxybenzene
• CAS No.: 767-91-9
• Molecular Formula: C9H8O
• Molecular Weight: 132.162
• Hs Code.: 29339990
• European Community (EC) Number: 817-370-1
• DSSTox Substance ID: DTXSID201311854
• Nikkaji Number: J655.962J
• Mol file: 767-91-9.mol

Synonyms:1-Ethynyl-2-methoxybenzene;767-91-9;2'-Methoxyphenyl acetylene;2-Ethynylanisole;2-Methoxyphenylacetylene;1-ethynyl-2-methoxy-benzene;benzene, 1-ethynyl-2-methoxy-;MFCD03839989;2'-Methoxyphenylacetylene;2-Methoxyphenyl acetylene;2-ethynylanisol;2-ethynyl-anisole;o-Methoxyphenylacetylen;2-methoxy phenylacetylene;2-Ethynylanisole, 97%;1-ethynyl-2-methoxybenzen;2-methoxy-phenyl acetylene;2\'-Methoxyphenyl acetylene;1-ethynyl-2-methoxy benzene;SCHEMBL236305;1-Ethynyl-2-methoxybenzene #;DTXSID201311854;AKOS008901266;CS-W005515;DS-13646;SY036898;A9731;FT-0632920;EN300-213766;Q-102459

Chemical Property of 1-Ethynyl-2-methoxybenzene

Chemical Property:

• Vapor Pressure: 0.368mmHg at 25°C
• Refractive Index: n20/D 1.5720(lit.)
• Boiling Point: 204.9 °C at 760 mmHg
• Flash Point: 70 °C
• PSA: 9.23000
• Density: 1.01 g/cm³
• LogP: 1.67650
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.057514874
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

2''-MethoxyphenylAcetylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C#C
• Uses: 2-Ethynylanisole may be used in the synthesis of 1,4-bis(2-methoxyphenyl)-2-methylbenzene.

Technology Process of 1-Ethynyl-2-methoxybenzene

There total 39 articles about 1-Ethynyl-2-methoxybenzene 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: 97.0%

(Z)-1-(2-iodovinyl)-2-methoxybenzene (156423-17-5) → 1-ethynyl-2-methoxybenzene (767-91-9)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 60 ℃; for 6h;

DOI:10.1016/j.tetlet.2008.09.060

Reference yield: 87.0%

3-(2-methoxyphenyl)-1-phenylprop-2-yn-1-one (129972-89-0) → 1-ethynyl-2-methoxybenzene (767-91-9)

Guidance literature:

With potassium hydroxide; water; In diethyl ether; at 35 ℃;

DOI:10.1007/BF00958856

Reference yield: 85.0%

4-(2'-methoxyphenyl)-2-methyl-3-butyn-2-ol (40904-92-5) → 1-ethynyl-2-methoxybenzene (767-91-9)

Guidance literature:

With potassium hydroxide; In hexane; for 12h; Reflux;

DOI:10.1002/adsc.201600759

upstream raw materials:

2-Methoxyacetophenone

3-(2-methoxyphenyl)prop-2-ynoic acid

(Z)-1-Bromo-2-(o-methoxyphenyl)ethylene

[(2-methoxyphenyl)ethynyl]trimethylsilane

Downstream raw materials:

2-phenylethynylanisole

1-[(5S,8R,9S,10S,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-(2-methoxy-phenyl)-propynone

4-(2-methoxyphenyl)-furan-2(5H)-one

3-(2-methoxyphenyl)furan-2(5H)-one

Refernces

• 1、 Chen, Shuqi,Flynn, Bernard L.. "Iodocyclisation of Electronically Resistant Alkynes: Synthesis of 2-Carboxy (and sulfoxy)-3-iodobenzo[ b ]thiophenes". . p. 65 - 76. Retrieved 2020/11/05.
• 2、 Li, Mengxing,Wang, Ting,An, Zhenyu,Yan, Rulong. "B(C6F5)3-Catalyzed cyclization of alkynes: direct synthesis of 3-silyl heterocyclic compounds". . p. 11953 - 11956. Retrieved 2020/10/15.