Diethyl hexadecylmalonate

Base Information

• Chemical Name: Diethyl hexadecylmalonate
• CAS No.: 41433-81-2
• Molecular Formula: C23H44O4
• Molecular Weight: 384.6
• Hs Code.: 2917190090
• European Community (EC) Number: 255-364-5
• NSC Number: 74106
• UNII: F45CUU13IA
• DSSTox Substance ID: DTXSID20194354
• Nikkaji Number: J320.070A
• Wikidata: Q27277605
• Mol file: 41433-81-2.mol

Synonyms:Diethyl hexadecylmalonate;41433-81-2;Diethyl cetylmalonate;Diethyl n-hexadecylmalonate;diethyl 2-hexadecylpropanedioate;Diethyl 2-hexadecylmalonate;UNII-F45CUU13IA;F45CUU13IA;EINECS 255-364-5;NSC-74106;NCIOpen2_009984;SCHEMBL5860379;DTXSID20194354;Hexadecylmalonic acid diethyl ester;NSC74106;MFCD00015162;NSC 74106;2-Hexadecylmalonic acid diethyl ester;Hexadecyl-malonic acid, diethyl ester;AKOS024319325;FT-0624798;FT-0626970;Q27277605

Chemical Property of Diethyl hexadecylmalonate

Chemical Property:

• Vapor Pressure: 1.15E-06mmHg at 25°C
• Melting Point: 24-27oC
• Refractive Index: 1.4445
• Boiling Point: 401.8°Cat760mmHg
• Flash Point: 178.9°C
• PSA: 52.60000
• Density: 0.925g/cm³
• LogP: 6.60020
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 384.32395988
• Heavy Atom Count: 27
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL HEXADECYLMALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC

Technology Process of Diethyl hexadecylmalonate

There total 7 articles about Diethyl hexadecylmalonate 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%

hexadecanyl bromide (112-82-3) + diethyl malonate (105-53-3) → diethyl 2-hexadecylmalonate (41433-81-2)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In acetonitrile; for 72h; Heating;

DOI:10.1021/jo00257a016

Reference yield: 86.0%

→ diethyl 2-hexadecylmalonate (41433-81-2)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 - 60 ℃; for 6h;

Reference yield:

stearic acid ethyl ester (111-61-5) + sodium ethanolate (141-52-6) + oxalic acid diethyl ester (95-92-1) → diethyl 2-hexadecylmalonate (41433-81-2)

Guidance literature:

at 50 - 60 ℃; under 100 Torr; unter Abdestillieren des entstandenen Aethanols und Erhitzen des entstandenen 2-Oxal-stearinsaeure-diaethylesters unter vermindertem Druck ca. 160-170grad;

DOI:10.1021/ja01202a030 DOI:10.1016/S0026-0495(00)80044-X

upstream raw materials:

stearic acid ethyl ester

sodium ethanolate

oxalic acid diethyl ester

sodium diethylmalonate

Downstream raw materials:

2-hexadecylpropane-1,3-diol bis(4-methylbenzenesulfonate)

4,4'-(2-hexadecyl-1,3-propanediyl)bis<10-<(4-methylphenyl)sulfonyl>-1,7-dioxa-4,10-diazacyclododecane>

2-hexadecyloctadecanoic acid

n-hexadecylmalonic acid