Dimethyl deca-4,6-diynedioate

Base Information

• Chemical Name: Dimethyl deca-4,6-diynedioate
• CAS No.: 24643-49-0
• Molecular Formula: C12H14 O4
• Molecular Weight: 222.241
• NSC Number: 156569
• DSSTox Substance ID: DTXSID00303088
• Wikidata: Q82048207
• Mol file: 24643-49-0.mol

Synonyms:dimethyl deca-4,6-diynedioate;24643-49-0;NSC156569;SCHEMBL15284077;DTXSID00303088;LJJQOVUCWFWDOT-UHFFFAOYSA-N;NSC-156569;4,6-Decadiynedioic acid, dimethyl ester;deca-4:6-diynedioic acid dimethyl ester

Chemical Property of Dimethyl deca-4,6-diynedioate

Chemical Property:

• Vapor Pressure: 7.08E-05mmHg at 25°C
• Boiling Point: 343.4°Cat760mmHg
• Flash Point: 169.7°C
• Density: 1.11g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC#CC#CCCC(=O)OC

Technology Process of Dimethyl deca-4,6-diynedioate

There total 3 articles about Dimethyl deca-4,6-diynedioate 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: 48.0%

1-Pentyne (627-19-0) → deca-4,6-diyne (16387-71-6) + deca-4,6-diynoic acid methyl ester (168331-17-7) + deca-4,6-diynedioic acid dimethyl ester (24643-49-0)

Guidance literature:

With ammonium hydroxide; methyl pent-4-ynoate; ammonium chloride; copper(l) chloride; for 2h; Ambient temperature;

DOI:10.1055/s-2006-957751

Reference yield: 48.0%

methyl pent-4-ynoate (21565-82-2) → deca-4,6-diyne (16387-71-6) + deca-4,6-diynoic acid methyl ester (168331-17-7) + deca-4,6-diynedioic acid dimethyl ester (24643-49-0)

Guidance literature:

With ammonium hydroxide; 1-Pentyne; ammonium chloride; copper(l) chloride; for 2h; Ambient temperature;

DOI:10.1055/s-2006-957751

Reference yield: 20.0%

1-Pentyne (627-19-0) + methyl pent-4-ynoate (21565-82-2) → deca-4,6-diyne (16387-71-6) + deca-4,6-diynoic acid methyl ester (168331-17-7) + deca-4,6-diynedioic acid dimethyl ester (24643-49-0)

Guidance literature:

With ammonium hydroxide; ammonium chloride; copper(l) chloride; for 2h; Ambient temperature;

DOI:10.1055/s-2006-957751

upstream raw materials:

1-Pentyne

methyl pent-4-ynoate

Downstream raw materials:

methyl 7-phenyl-4,6-heptadiynoate

methyl 7-(4-methylphenyl)-4,6-heptadiynoate

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