(2E,4E)-2,4-Dodecadienal

Base Information

• Chemical Name: (2E,4E)-2,4-Dodecadienal
• CAS No.: 21662-16-8
• Molecular Formula: C12H20O
• Molecular Weight: 180.29
• European Community (EC) Number: 244-517-1,244-516-6
• UNII: VO340RJ9LU
• DSSTox Substance ID: DTXSID80885175
• Nikkaji Number: J126.514H,J225.410G,J99.553C
• Wikidata: Q27291932
• Metabolomics Workbench ID: 48586
• Mol file: 21662-16-8.mol

Synonyms:21662-16-8;(E,E)-2,4-dodecadienal;2,4-Dodecadienal;(2E,4E)-Dodeca-2,4-dienal;(2E,4E)-2,4-Dodecadienal;Trans,trans-2,4-dodecadienal;2,4-Dodecadienal, (E,E)-;(E,E)-2,4-Dodecadien-1-al;2,4-Dodecadien-1-al;(trans,trans)-2,4-Dodecadienal;2,4-Dodecadienal, (2E,4E)-;FEMA No. 3670;2,4-Dodecadienal, trans,trans-;VO340RJ9LU;13162-47-5;2e,4e-dodecadienal;UNII-VO340RJ9LU;(2e,4z)-2,4-dodecadienal;?(E,E)-2,4-Dodecadienal;SCHEMBL229448;SCHEMBL229806;FEMA 3670;DTXSID80885175;CHEBI:171898;21662-15-7;EINECS 244-517-1;MFCD00014678;2-TRANS-4-TRANS-DODECADIENAL;AKOS015902294;AS-76766;2,4-DODECADIEN-1-AL, (E,E)-;2,4-Dodecadienal, technical, >=90% (GC);EN300-303371;J-014218;Q27291932;TRANS,TRANS-2,4-DODECADIENAL, (2E,4E)- [FHFI]

Chemical Property of (2E,4E)-2,4-Dodecadienal

Chemical Property:

• Vapor Pressure: 0.00538mmHg at 25°C
• Refractive Index: n20/D 1.510
• Boiling Point: 274.5 °C at 760 mmHg
• Flash Point: 119.4 °C
• PSA: 17.07000
• Density: 0.853 g/cm³
• LogP: 3.65820
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 180.151415257
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

2,4-DODECADIEN-1-AL 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCC=CC=CC=O
• Isomeric SMILES: CCCCCCC/C=C/C=C/C=O

Technology Process of (2E,4E)-2,4-Dodecadienal

There total 16 articles about (2E,4E)-2,4-Dodecadienal 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: 83.0%

(2E,4E)-dodeca-2,4-dien-1-ol (18485-38-6) → trans,trans-2,4-dodecadienal (21662-16-8)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 2h;

DOI:10.1002/anie.200603979

Reference yield: 75.0%

2-octylidenecyclopropanecarbaldehyde (1171108-02-3) → trans,trans-2,4-dodecadienal (21662-16-8)

Guidance literature:

With palladium diacetate; triphenylphosphine; In toluene; at 110 ℃; for 0.5h; Inert atmosphere;

DOI:10.1016/j.tet.2009.08.044

Reference yield: 71.0%

(E)-(4-Oxo-2-butenyl)phosphonsaeure-diethylester (110905-37-8) → trans,trans-2,4-dodecadienal (21662-16-8) + (E)-5-cyclohexylidene-2,4-pentadienal (4351-03-5)

Guidance literature:

With cyclohexylamine; lithium diisopropyl amide; In tetrahydrofuran; at 0 - 25 ℃; for 3h;

DOI:10.1021/jo00306a006

upstream raw materials:

Octanal

methanol

3'-(1E/Z,3E,5E-Dodecatrienyloxy)-1,2-propanediol

{(E)-4-[(E)-Cyclohexylimino]-but-2-enyl}-phosphonic acid diethyl ester

Downstream raw materials:

2,4-dodecadienoic acid

(2E,4E)-N-isobutyldodeca-2,4-dienamide

Refernces

• 1、 Zhang, Xiao-Wei,Jiang, Guo-Qing,Lei, Shu-Hui,Shan, Xiang-Huan,Qu, Jian-Ping,Kang, Yan-Biao. "Iron-Catalyzed ?±,?-Dehydrogenation of Carbonyl Compounds". supporting information. p. 1611 - 1615. Retrieved 2021/03/03.
• 2、 Tang, Xiang-Ying,Shi, Min. "Pd(0) or Pd(II)-catalyzed ring-opening reactions of benzylidene- and alkylidenecyclopropyl ketones and aldehydes". supporting information; experimental part. p. 8863 - 8868. Retrieved 2009/12/26.