Dimethyl 3-(2-methoxy-2-oxoethyl)pentanedioate

Base Information

• Chemical Name: Dimethyl 3-(2-methoxy-2-oxoethyl)pentanedioate
• CAS No.: 57056-38-9
• Molecular Formula: C10H16O6
• Molecular Weight: 232.233
• DSSTox Substance ID: DTXSID20597624
• Wikidata: Q82493246

Synonyms:57056-38-9;Dimethyl 3-(2-methoxy-2-oxoethyl)pentanedioate;Pentanedioic acid, 3-(2-methoxy-2-oxoethyl)-, dimethyl ester;SCHEMBL3197402;DTXSID20597624;GGZYSWCZXIMIIW-UHFFFAOYSA-N;dimethyl 3-methoxycarbonylmethylglutarate;3-(methoxycarbonylmethyl)glutaric acid dimethylester;1,5-DIMETHYL 3-(2-METHOXY-2-OXOETHYL)PENTANEDIOATE;Pentanedioic acid, 3-(2-methoxy-2-oxoethyl)-, 1,5-dimethyl ester

Chemical Property of Dimethyl 3-(2-methoxy-2-oxoethyl)pentanedioate

Chemical Property:

• Boiling Point: 117-120 °C(Press: 1 Torr)
• PSA: 78.90000
• Density: 1.136±0.06 g/cm3(Predicted)
• LogP: 0.29190
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 232.09468823
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(CC(=O)OC)CC(=O)OC

Technology Process of Dimethyl 3-(2-methoxy-2-oxoethyl)pentanedioate

There total 1 articles about Dimethyl 3-(2-methoxy-2-oxoethyl)pentanedioate 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:

dimethyl glutaconate (5164-76-1) → tris(methyloxycarbonylmethyl)methane (57056-38-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 63 percent / CH₃ONa / methanol / Heating

2: 70 percent / HCl / H₂O / 12 h / Heating

3: 100 percent / SOCl₂ / 5 h / Heating

With hydrogenchloride; thionyl chloride; sodium methylate; In methanol; water;

DOI:10.1070/MC2005v015n05ABEH002164

Reference yield: 100.0%

tris(methyloxycarbonylmethyl)methane (57056-38-9) + 4-methoxy-benzylamine (2393-23-9) → methanol (67-56-1) + tris(methyloxycarbonylmethyl)methane (488706-18-9)

Guidance literature:

at 120 ℃; for 24h;

Reference yield: 100.0%

tris(methyloxycarbonylmethyl)methane (57056-38-9) + 4-methoxy-benzylamine (2393-23-9) → tris(methyloxycarbonylmethyl)methane (488706-18-9)

Guidance literature:

at 120 ℃; for 24h;

upstream raw materials:

dimethyl glutaconate

Downstream raw materials:

3-vinylpenta-1,4-diene

Quinuclidine

tris(methyloxycarbonylmethyl)methane

methanol

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