Diethyl dodecanedioate

Base Information

• Chemical Name: Diethyl dodecanedioate
• CAS No.: 10471-28-0
• Molecular Formula: C16H30 O4
• Molecular Weight: 286.412
• Hs Code.: 2917190090
• European Community (EC) Number: 233-960-6
• NSC Number: 137161
• UNII: MV7BNQ5GTQ
• DSSTox Substance ID: DTXSID50146669
• Nikkaji Number: J149.582H
• Wikidata: Q83011518
• Mol file: 10471-28-0.mol

Synonyms:Diethyl dodecanedioate;10471-28-0;Dodecanedioic Acid Diethyl Ester;ETHYL 11-ETHOXYCARBONYLDODECANOATE;Diethyl 1,10-Decanedicarboxylate;MV7BNQ5GTQ;diethyl 1,12-dodecanedioate;Docanedioic acid diethyl ester;Dodecanedioic acid, diethyl ester;EINECS 233-960-6;NSC-137161;NSC 137161;UNII-MV7BNQ5GTQ;Diethyl dodecanedioate #;SCHEMBL493852;DTXSID50146669;DODECANEDIOICACIDDIETHYLESTER;MFCD00009204;NSC137161;AKOS015915583;Dodecanedioic acid, 1,12-diethyl ester;CS-0204413;D2486;FT-0636708;D90070;J-001234

Chemical Property of Diethyl dodecanedioate

Chemical Property:

• Vapor Pressure: 0.000152mmHg at 25°C
• Melting Point: 15 °C(lit.)
• Refractive Index: n20/D 1.44(lit.)
• Boiling Point: 192-193 °C14 mm Hg(lit.)
• Flash Point: 146.4°C
• PSA: 52.60000
• Density: 0.955g/cm³
• LogP: 4.01360
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 286.21440943
• Heavy Atom Count: 20
• Complexity: 225

Purity/Quality:

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

Ethyl11-Ethoxycarbonyldodecanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCCCC(=O)OCC
• Uses: Ethyl 11-Ethoxycarbonyldodecanoate (cas# 10471-28-0) is a compound useful in organic synthesis.

Technology Process of Diethyl dodecanedioate

There total 9 articles about Diethyl dodecanedioate 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: 98.0%

ethanol (64-17-5) + 1,12-dodecanedioic acid (693-23-2) → diethyl dodecanedioate (10471-28-0)

Guidance literature:

for 2h; Reflux; Acidic conditions;

DOI:10.1039/c0ob00683a

Reference yield: 87.0%

ethanol (64-17-5) + 2-hydroxycyclododecanone (19025-38-8,140134-30-1) → diethyl dodecanedioate (10471-28-0)

Guidance literature:

With oxygen; oxovanadium(V) ethoxydichloride; for 0.5h; Ambient temperature;

DOI:10.1039/a706859j

Reference yield: 70.0%

6-<(4-methylbenzenesulfonyl)oxy>hexanoic acid, ethyl ester (122822-50-8) → diethyl dodecanedioate (10471-28-0)

Guidance literature:

With manganese; chloro-trimethyl-silane; vitamin B₁₂; [NiBr₂(phen)]; In dimethyl sulfoxide; at 30 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.3390/molecules24081458

upstream raw materials:

ethanol

1,12-dodecanedioic acid

2,2'-Dibrom-dodecandisaeure-diethylester

2-hydroxycyclododecanone

Downstream raw materials:

N₁,N₁₂-diphenyldodecane-1,12-diamine

C₃₆H₄₂O₂

C₆₆H₈₀O₈

C₆₂H₇₂O₈

Refernces

• 1、 Kirihara, Masayuki,Takizawa, Shinobu,Momose, Takefumi. "Highly chemoselective, oxyvanadium-catalysed cleavage of α-hydroxy ketones". . p. 7 - 8. Retrieved 1998.
• 2、 Shi, Yiping,Kamer, Paul C. J.,Cole-Hamilton, David J.. "A new route to α,ω-diamines from hydrogenation of dicarboxylic acids and their derivatives in the presence of amines". supporting information. p. 5460 - 5466. Retrieved 2017/11/22.