Tetradecanedioic acid

Base Information

• Chemical Name: Tetradecanedioic acid
• CAS No.: 821-38-5
• Deprecated CAS: 1809555-25-6
• Molecular Formula: C14H26O4
• Molecular Weight: 258.358
• Hs Code.: 2917.19 DERIVATION
• European Community (EC) Number: 212-476-9
• NSC Number: 9504
• UNII: UEC3AC47H1
• DSSTox Substance ID: DTXSID5061166
• Nikkaji Number: J43.333K
• Wikidata: Q27145872
• Metabolomics Workbench ID: 1942
• Mol file: 821-38-5.mol

Synonyms:1,14-tetradecanedioic acid

Chemical Property of Tetradecanedioic acid

Chemical Property:

• Appearance/Colour: white fine powder
• Vapor Pressure: 9.48E-09mmHg at 25°C
• Melting Point: 124-127 °C(lit.)
• Refractive Index: 1.4650 (estimate)
• Boiling Point: 434.1 °C at 760 mmHg
• PKA: 4.48±0.10(Predicted)
• Flash Point: 230.5 °C
• PSA: 74.60000
• Density: 1.038 g/cm³
• LogP: 3.83680
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 258.18310931
• Heavy Atom Count: 18
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

Tetradecanedioic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCCCCC(=O)O)CCCCCC(=O)O
• Uses: Tetradecanedioic acid is used as an organic chemical synthesis intermediate.

Technology Process of Tetradecanedioic acid

There total 52 articles about Tetradecanedioic acid 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: 96.0%

C22H34O8 (81393-28-4) → 1,14-tetradecanedioic acid (821-38-5)

Guidance literature:

With hydrogenchloride; In water; Heating;

Reference yield: 85.0%

2,2':5',2-terthiophene-5,5-dicarboxylic acid (87145-86-6) → 1,14-tetradecanedioic acid (821-38-5)

Guidance literature:

With nickel; In water; for 20h; Heating;

DOI:10.1021/jo00170a040

Reference yield: 60.0%

carbon monoxide (201230-82-2) + dodec-2-en-1-ol (22104-81-0) → 1,14-tetradecanedioic acid (821-38-5)

Guidance literature:

With HeMaRaphos; water; toluene-4-sulfonic acid; palladium dichloride; In tetrahydrofuran; at 125 ℃; for 24h; under 30003 Torr; regioselective reaction; Autoclave; Green chemistry;

DOI:10.1002/anie.202008916

upstream raw materials:

1,4-dibromo-butane

1,12-diiodododecane

potassium cyanide

pentadec-14-enoic acid

Downstream raw materials:

dimethyl tetradecanedioate

diethyl tetradecanedioate

1,14-tetradecanediol

1,12-dodecane-dicarboxylic acid monoethylester

Refernces

• 1、 Beller, Matthias,Ge, Yao,Huang, Weiheng,Jackstell, Ralf,Liu, Jiawang,Neumann, Helfried,Yang, Ji. "Direct and Selective Synthesis of Adipic and Other Dicarboxylic Acids by Palladium-Catalyzed Carbonylation of Allylic Alcohols". supporting information. p. 20394 - 20398. Retrieved 2020/09/21.
• 2、 Hirase, Koji,Sakaguchi, Satoshi,Ishii, Yasutaka. "Addition of carboxyalkyl radicals to alkenes through a catalytic process, using a Mn(II)/Co(II)/O2 redox system". . p. 5974 - 5976. Retrieved 2007/10/03.