2-Tetradecenal

Base Information

• Chemical Name: 2-Tetradecenal
• CAS No.: 51534-36-2
• Molecular Formula: C14H26O
• Molecular Weight: 210.36
• Hs Code.: 2912190090
• European Community (EC) Number: 639-606-0
• UNII: USP752EG6P
• DSSTox Substance ID: DTXSID3070098
• Nikkaji Number: J498.766G,J346.315J
• Wikidata: Q27291250
• Metabolomics Workbench ID: 3477
• ChEMBL ID: CHEMBL2228453
• Mol file: 51534-36-2.mol

Synonyms:2-Tetradecenal;(E)-tetradec-2-enal;TRANS-2-TETRADECENAL;(E)-2-tetradecenal;2-Tetradecenal, (E)-;51534-36-2;2-Tetradecenal, (2E)-;64461-99-0;Tetradec-2-enal [FHFI];FEMA No. 4209;trans-2-Tetradecen-1-al;UNII-USP752EG6P;USP752EG6P;2-tetradecenal, E;(2E)-2-tetradecenal;Tetradecenal;PHENOLSULFONICACID;(E)-2-tetradecen-1-al;SCHEMBL1737941;2-TETRADECENAL, TRANS-;CHEMBL2228453;DTXSID3070098;CHEBI:177516;2-TETRADECENAL (HIGH TRANS);LMFA06000079;Q27291250

Chemical Property of 2-Tetradecenal

Chemical Property:

• Boiling Point: 84-86 °C(Press: 0.1 Torr)
• PSA: 17.07000
• Density: 0.839±0.06 g/cm3(Predicted)
• LogP: 4.66240
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 210.198365449
• Heavy Atom Count: 15
• Complexity: 149

Purity/Quality:

TRANS-2-TETRADECENAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC=CC=O
• Isomeric SMILES: CCCCCCCCCCC/C=C/C=O

Technology Process of 2-Tetradecenal

There total 16 articles about 2-Tetradecenal 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: 88.4%

(E)-Tetradec-2-en-1-ol (75039-86-0) → (E)-tetradec-2-enal (51534-36-2,64461-99-0)

Guidance literature:

With N-chloro-succinimide; N-(phenylthio)-N-(tert-butyl)amine; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jf902575f

Reference yield: 70.0%

2-Benzenesulfonyl-2-undecyl-cyclopropanol (100905-08-6) → (E)-tetradec-2-enal (51534-36-2,64461-99-0)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; for 4h; Heating;

DOI:10.1016/S0040-4039(00)89204-7

Reference yield: 64.0%

Dodecanal (112-54-9) + (triphenylphosphoranylidene)acetaldehyde (2136-75-6) → (E)-tetradec-2-enal (51534-36-2,64461-99-0)

Guidance literature:

In toluene; at 85 ℃; for 16h;

DOI:10.1021/acs.orglett.8b04110

upstream raw materials:

tetradec-2c-enal-diethylacetal

1t,3-bis-methylsulfanyl-tetradec-1-ene

2-Benzenesulfonyl-2-undecyl-cyclopropanol

sulfuric acid

Downstream raw materials:

α-triticene

Refernces

• 1、 Hao, Er-Jun,Li, Gong-Xin,Liang, Yu-Ru,Xie, Ming-Sheng,Wang, Dong-Chao,Jiang, Xiao-Han,Cheng, Jia-Yi,Shi, Zhi-Xian,Wang, Yang,Guo, Hai-Ming. "Design, Synthesis, and Activity Evaluation of Novel Acyclic Nucleosides as Potential Anticancer Agents in Vitro and in Vivo". supporting information. p. 2077 - 2109. Retrieved 2021/02/16.
• 2、 Wube, Abraham A.,Hüfner, Antje,Thomaschitz, Christina,Blunder, Martina,Kollroser, Manfred,Bauer, Rudolf,Bucar, Franz. "Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl- 4(1H)-quinolones". experimental part. p. 567 - 579. Retrieved 2011/03/17.