Suberic acid monomethyl ester

Base Information

• Chemical Name: Suberic acid monomethyl ester
• CAS No.: 3946-32-5
• Molecular Formula: C9H16O4
• Molecular Weight: 188.224
• Hs Code.: 29171900
• DSSTox Substance ID: DTXSID90339174
• Nikkaji Number: J236.647I
• Wikidata: Q72509022
• Mol file: 3946-32-5.mol

Synonyms:Suberic acid monomethyl ester;3946-32-5;8-Methoxy-8-oxooctanoic acid;Monomethyl Suberate;Subericacidmonomethylester;Methyl Hydrogen Suberate;Octanedioic Acid Monomethyl Ester;MFCD00004427;Monomethyl Octaneoate;Suberic acid MonoMethy ester;SCHEMBL623551;7-methoxycarbonylheptanoic acid;Octanedioic acid 1-methyl ester;8-Methoxy-8-oxooctanoic acid #;DTXSID90339174;AMY41230;Suberic acid monomethyl ester, 97%;AKOS015950688;CS-W001958;GS-6026;SY015451;FT-0694807;S0440;EN300-182577;A873652

Chemical Property of Suberic acid monomethyl ester

Chemical Property:

• Appearance/Colour: colorless low melting solid
• Vapor Pressure: 0.000208mmHg at 25°C
• Melting Point: 17-19 °C(lit.)
• Refractive Index: n20/D 1.444(lit.)
• Boiling Point: 303.9 °C at 760 mmHg
• PKA: 4.76±0.10(Predicted)
• Flash Point: 108 °C
• PSA: 63.60000
• Density: 1.074 g/cm³
• LogP: 1.58460
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO, Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 165

Purity/Quality:

99.0% ^*data from raw suppliers

Suberic acid monomethyl ester ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)CCCCCCC(=O)O
• Uses: Suberic acid monomethyl ester was used in the synthetic preparation of Prostaglandin E1 (P838600), a primary prostaglandin and a peripheral vasodilator. Monomethyl Suberate was used in the synthetic preparation of Prostaglandin E1 (P838600), a primary prostaglandin and a peripheral vasodilator.

Technology Process of Suberic acid monomethyl ester

There total 11 articles about Suberic acid monomethyl ester 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: 87.0%

dimethyl subarate (1732-09-8) → suberic acid monomethyl ester (3946-32-5)

Guidance literature:

With porcine liver esterase; sodium hydroxide; phosphate buffer; for 6h;

Reference yield: 80.0%

methanol (67-56-1) + oxonane-2,9-dione (10521-06-9) → suberic acid monomethyl ester (3946-32-5)

Guidance literature:

for 3h; Reflux;

DOI:10.1007/s10593-015-1752-z

Reference yield: 72.0%

methanol (67-56-1) + octane-1,8-dioic acid (505-48-6) → suberic acid monomethyl ester (3946-32-5) + dimethyl subarate (1732-09-8)

Guidance literature:

With aluminum oxide; at 25 ℃; for 48h; chemoselective reaction; Green chemistry;

DOI:10.1039/c6gc01900e

upstream raw materials:

methanol

octane-1,8-dioic acid

dimethyl subarate

diazomethane

Downstream raw materials:

dimethyl tetradecanedioate

octane-1,8-dioic acid

dimethyl subarate

Hexadec-11-ynoic acid methyl ester

Refernces

• 1、 -. "TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT". . . Retrieved 2021/12/23.
• 2、 Santacroce, Veronica,Bigi, Franca,Casnati, Alessandra,Maggi, Raimondo,Storaro, Loretta,Moretti, Elisa,Vaccaro, Luigi,Maestri, Giovanni. "Selective monomethyl esterification of linear dicarboxylic acids with bifunctional alumina catalysts". supporting information. p. 5764 - 5768. Retrieved 2016/11/06.