Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate

Base Information

• Chemical Name: Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate
• CAS No.: 54166-15-3
• Molecular Formula: C17H22O5
• Molecular Weight: 306.359
• Hs Code.: 2918999090
• DSSTox Substance ID: DTXSID60510559
• Nikkaji Number: J2.057.398H
• Wikidata: Q72442211
• Mol file: 54166-15-3.mol

Synonyms:54166-15-3;Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate;3-Benzyloxycyclobutane-1,1-dicarboxylic acid diethyl ester;diethyl 3-phenylmethoxycyclobutane-1,1-dicarboxylate;MFCD07700259;3-Benzyloxy cyclobutane-1,1-dicarboxylic acid diethyl ester;1,1-DIETHYL 3-(BENZYLOXY)CYCLOBUTANE-1,1-DICARBOXYLATE;1,1-Cyclobutanedicarboxylic acid, 3-(phenylmethoxy)-, diethyl ester;diethyl 3-benzyloxycyclobutane-1,1-dicarboxylate;SCHEMBL871442;AMY1623;DTXSID60510559;OSQKNXLJUGYQHW-UHFFFAOYSA-N;C17H22O5;AKOS000282892;PB14493;AC-28797;AS-34909;SY016635;1-Benzyloxy-3,3-bis-carbethoxy-cyclobutane;CS-0052770;Diethyl 3-benzyloxy-1,1-cyclobutanedicarboxylate;A830005;diethyl 3-benzyloxycyclobutane-1, 1-dicarboxylate;diethyl3-(benzyloxy)cyclobutane-1,1-dicarboxylate;J-511765;3-Benzyloxy-cyclobutane-1,1-dicarboxylic acid diethyl ester;DIETHYL 3-(BENZYLOXY)-1,1-CYCLOBUTANEDICARBOXYLATE;3-(Phenylmethoxy)-1,1-cyclobutanedicarboxylic acid, diethyl ester

Chemical Property of Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate

Chemical Property:

• Vapor Pressure: 1.29E-05mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 368.3 °C at 760 mmHg
• Flash Point: 158.2 °C
• Density: 1.15 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 306.14672380
• Heavy Atom Count: 22
• Complexity: 361

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diethyl3-(Benzyloxy)cyclobutane-1,1-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CC(C1)OCC2=CC=CC=C2)C(=O)OCC

Technology Process of Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate

There total 7 articles about Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate 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: 95.0%

1-bromo-2-benzyloxy-3-chloropropane (54307-67-4) + diethyl malonate (105-53-3) → diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate (54166-15-3)

Guidance literature:

With sodium ethanolate; In ethanol; for 10h; Reflux;

Reference yield: 47.7%

(2-bromo-1-bromomethylethoxymethyl)benzene (35995-55-2) + diethyl malonate (105-53-3) → diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate (54166-15-3)

Guidance literature:

With sodium ethanolate; sodium; In ethanol;

Reference yield:

C17H23ClO5 (1356087-23-4) → diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate (54166-15-3)

Guidance literature:

at 125 ℃; for 2h;

upstream raw materials:

(2-bromo-1-bromomethylethoxymethyl)benzene

diethyl malonate

1-bromo-2-benzyloxy-3-chloropropane

benzyl bromide

Downstream raw materials:

3-(benzyloxy)cyclobutane-1,1-dicarboxylic acid

3-(benzyloxy)-1-carbethoxycyclobutane-1-carboxylic acid

1α-benzyloxy-3β-carbethoxy-cyclobutane

ethyl 3α-(benzyloxy)cyclobutane-1α-carboxylate