Propanedioic acid, 2-(cyclobutylmethyl)-, 1,3-diethyl ester

Base Information

Chemical Name:Propanedioic acid, 2-(cyclobutylmethyl)-, 1,3-diethyl ester
CAS No.:21782-47-8
Molecular Formula:C₁₂H₂₀O₄
Molecular Weight:228.288
Hs Code.:
DSSTox Substance ID:DTXSID501188646
Mol file:21782-47-8.mol

Synonyms:21782-47-8;Propanedioic acid, 2-(cyclobutylmethyl)-, 1,3-diethyl ester;SCHEMBL1009487;diethyl (cyclobutylmethyl)malonate;KXCXWZDZVIXGFE-UHFFFAOYSA-N;DTXSID501188646;Diethyl 2-(cyclobutylmethyl)malonate;AKOS018014412;2-cyclobutylmethyl-malonic acid diethyl ester

Suppliers and Price of Propanedioic acid, 2-(cyclobutylmethyl)-, 1,3-diethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of Propanedioic acid, 2-(cyclobutylmethyl)-, 1,3-diethyl ester

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:228.13615911
Heavy Atom Count:16
Complexity:227

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CC1CCC1)C(=O)OCC

Technology Process of Propanedioic acid, 2-(cyclobutylmethyl)-, 1,3-diethyl ester

There total 1 articles about Propanedioic acid, 2-(cyclobutylmethyl)-, 1,3-diethyl 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:

: 17247-58-4
(Bromomethyl)cyclobutane

: 105-53-3
diethyl malonate

: 18928-91-1
diethyl 2-cyclopentylmalonate

: 21782-47-8
ethyl 3-cyclobutyl-2-ethoxycarbonylpropionate

Guidance literature:: DOI:10.1016/0039-128X(83)90100-9

Reference yield: 58.0%

: 21782-47-8
ethyl 3-cyclobutyl-2-ethoxycarbonylpropionate

: 122-66-7
diphenyl hydrazine

: 4-Cyclobutylmethyl-1,2-diphenyl-pyrazolidine-3,5-dione

Guidance literature:: With sodium; In ethanol; 1.) reflux, 1 h; 2.) 130-140 deg C, 1 h;

Reference yield:

: 21782-47-8
ethyl 3-cyclobutyl-2-ethoxycarbonylpropionate

: (αR)-[[(phenylmethoxy)amino]methyl]-cyclobutane-propanoicacid

Guidance literature:: Multi-step reaction with 7 steps

1.1: hydrogenchloride / water / 0.33 h / 0 - 20 °C / pH 2 / Inert atmosphere; Large scale

2.1: piperidine / water; ethanol / 3.33 h / 20 - 80 °C / Large scale

3.1: pivaloyl chloride; triethylamine / tetrahydrofuran / -15 - 25 °C / Large scale

3.2: 3.17 h / -18 - 20 °C / Large scale

4.1: sodium hydroxide / water; toluene / 0.75 h / 20 - 25 °C / Large scale

4.2: 3.33 h / 48 °C / Large scale

5.1: ethyl acetate / 2 h / 20 - 25 °C / Large scale

6.1: sodium carbonate / water; ethyl acetate / 20 - 25 °C / Large scale

7.1: dihydrogen peroxide; lithium hydroxide monohydrate / water; tetrahydrofuran / 1.75 h / 0 °C / Large scale

With piperidine; hydrogenchloride; lithium hydroxide monohydrate; dihydrogen peroxide; pivaloyl chloride; sodium carbonate; triethylamine; sodium hydroxide; In tetrahydrofuran; ethanol; water; ethyl acetate; toluene; 4.2: |Michael Addition;
DOI:10.1021/op700265n