3,4-Dimethoxyphenylacetylene

Base Information

• Chemical Name: 3,4-Dimethoxyphenylacetylene
• CAS No.: 4302-52-7
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 2909309090
• European Community (EC) Number: 806-100-8
• DSSTox Substance ID: DTXSID80394338
• Nikkaji Number: J795.217A
• Wikidata: Q72468231
• Mol file: 4302-52-7.mol

Synonyms:4302-52-7;4-ethynyl-1,2-dimethoxybenzene;3,4-dimethoxyphenylacetylene;3',4'-Dimethoxyphenyl acetylene;Benzene, 4-ethynyl-1,2-dimethoxy-;1,2-Dimethoxy-4-ethynylbenzene;4-ethynyl-1,2-dimethoxy-benzene;MFCD03839986;3,4-di-methoxyphenylacetylene;3,4-dimethoxyphenyl acetylene;SCHEMBL168783;4-Ethynylcatechol dimethyl ether;DTXSID80394338;UWSHHXXCHBLOFO-UHFFFAOYSA-N;AKOS010651605;PS-4992;BCB04_000236;SY036899;3',4'-dimethoxyphenyl acetylene, AldrichCPR;A6971;CS-0136055;FT-0635215;EN300-734632;Q-102455;BRD-K27593347-001-01-8;Z1080385494;3,4-Dimethoxyphenylacetylene

Chemical Property of 3,4-Dimethoxyphenylacetylene

Chemical Property:

• Vapor Pressure: 0.079mmHg at 25°C
• Melting Point: 76℃
• Refractive Index: 1.522
• Boiling Point: 234.9 °C at 760 mmHg
• Flash Point: 88.1 °C
• PSA: 18.46000
• Density: 1.064 g/cm³
• LogP: 1.68510
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

3'',4''-Dimethoxyphenylacetylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C#C)OC

Technology Process of 3,4-Dimethoxyphenylacetylene

There total 36 articles about 3,4-Dimethoxyphenylacetylene 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: 98.0%

2,2-dibromo-1-(3,4-dimethoxyphenyl)ethene (118199-01-2) → 4-ethynylveratrole (4302-52-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/jo800428b

Reference yield: 95.0%

3,4-dimethoxy-benzaldehyde (120-14-9) + acetonitrile (75-05-8,26809-02-9) → 4-ethynylveratrole (4302-52-7)

Guidance literature:

3,4-dimethoxy-benzaldehyde; acetonitrile; With triisopropyl phosphate; carbon tetrabromide; at 0 ℃; for 0.583333h;

With 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; at 0 - 25 ℃; for 0.833333h;

DOI:10.24820/ARK.5550190.P011.120dummy2

Reference yield: 94.0%

dimethyl 1-(1-diazo-2-oxopropyl)phosphonate (90965-06-3) + 3,4-dimethoxy-benzaldehyde (120-14-9) → 4-ethynylveratrole (4302-52-7)

Guidance literature:

With potassium carbonate; In methanol; for 4h;

DOI:10.1021/jm0506120

upstream raw materials:

ethanol

1-bromo-2-(3',4'-dimethoxyphenyl)ethene

sodium ethanolate

3,4-dimethoxyphenylpropiolic acid

Downstream raw materials:

4'-(3,4-Dimethoxy-phenylethynyl)-biphenyl-4-carbonitrile

2-(3,4-dimethoxyphenyl)-4-oxo-6,6-dimethyl-4,5,6,7-tetrahydrobenzofuran

ethyl 2-ethoxy-5-(3,4-dimethoxyphenyl)-3-furancarboxylate

ethyl 3-<2-ethoxy-5-(3,4-dimethoxyphenyl)-3-furanyl>-2-propenoate