Diethyl-6-(4-chlorophenoxy) hexylmalonate

Base Information

• Chemical Name: Diethyl-6-(4-chlorophenoxy) hexylmalonate
• CAS No.: 82258-39-7
• Molecular Formula: C19H27ClO5
• Molecular Weight: 370.873
• DSSTox Substance ID: DTXSID10393334
• Wikidata: Q82192080
• Mol file: 82258-39-7.mol

Synonyms:DIETHYL-6-(4-CHLOROPHENOXY) HEXYLMALONATE;82258-39-7;Diethyl 2-[6-(4-chlorophenoxy)hexyl]propanedioate;SCHEMBL5883644;DTXSID10393334;AKOS030240273;FT-0666756

Chemical Property of Diethyl-6-(4-chlorophenoxy) hexylmalonate

Chemical Property:

• PSA: 61.83000
• LogP: 4.41170
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 370.1547017
• Heavy Atom Count: 25
• Complexity: 362

Purity/Quality:

98%Min ^*data from raw suppliers

Diethyl-6-(4-chlorophenoxy)Hexylmalonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(CCCCCCOC1=CC=C(C=C1)Cl)C(=O)OCC
• Uses: Diethyl-6-(4-chlorophenoxy) Hexylmalonate (cas# 82258-39-7) is a compound useful in organic synthesis.

Technology Process of Diethyl-6-(4-chlorophenoxy) hexylmalonate

There total 1 articles about Diethyl-6-(4-chlorophenoxy) hexylmalonate 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:

1-((6-bromohexyl)oxy)-4-chlorobenzene (37136-99-5) + diethyl malonate (105-53-3) → 6-(4-chlorophenoxy)hexylmalonic acid diethyl ester (82258-39-7)

Guidance literature:

With sodium ethanolate; In ethanol;

DOI:10.1016/S0957-4166(00)86343-0

Reference yield:

6-(4-chlorophenoxy)hexylmalonic acid diethyl ester (82258-39-7) → 6-(4-chlorophenoxy)hexylmalonic acid ethyl ester

Guidance literature:

With potassium hydroxide; In ethanol;

Reference yield:

6-(4-chlorophenoxy)hexylmalonic acid diethyl ester (82258-39-7) → C17H24Cl2O4

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 20 °C / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: lithium tri-t-butoxyaluminum hydride / tetrahydrofuran / 12 h / 40 °C / Inert atmosphere

With sodium hydride; lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/jacs.1c12404

upstream raw materials:

1-((6-bromohexyl)oxy)-4-chlorobenzene

diethyl malonate

Downstream raw materials:

8-(4-Chloro-phenoxy)-2-methylene-octan-1-ol

2-[6-(4-Chloro-phenoxy)-hexyl]-propane-1,2,3-triol

Butyric acid 2-butyryloxymethyl-8-(4-chloro-phenoxy)-2-hydroxy-octyl ester

{(S)-2-[6-(4-Chloro-phenoxy)-hexyl]-oxiranyl}-methanol

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