(Z)-2-propylhept-2-enal

Base Information

• Chemical Name: (Z)-2-propylhept-2-enal
• CAS No.: 34880-43-8
• Molecular Formula: C10H18 O
• Molecular Weight: 154.252
• Hs Code.: 2912190090
• European Community (EC) Number: 252-268-5
• DSSTox Substance ID: DTXSID2067876
• Nikkaji Number: J24.164D,J2.067.173D
• Mol file: 34880-43-8.mol

Synonyms:2-Propyl-2-heptenal;2-Heptenal, 2-propyl-;EINECS 252-268-5;34880-43-8;(Z)-2-propylhept-2-enal;(Z)-2-Propyl-2-heptenal;SCHEMBL381857;DTXSID2067876;SCHEMBL16179051;GADNZGQWPNTMCH-NTMALXAHSA-N

Chemical Property of (Z)-2-propylhept-2-enal

Chemical Property:

• Vapor Pressure: 0.0918mmHg at 25°C
• Refractive Index: n20/D 1.457
• Boiling Point: 224.3°Cat760mmHg
• Flash Point: 66.8°C
• PSA: 17.07000
• Density: 0.836g/cm³
• LogP: 3.10200
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

2-Propyl-2-heptenal(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC=C(CCC)C=O
• Isomeric SMILES: CCCC/C=C(/CCC)\C=O
• Uses: 2-Propyl-2-heptenal is an alkene shown as an metabolic by-product of unsaturated fatty acids metabolism to oxylipins.

Technology Process of (Z)-2-propylhept-2-enal

There total 30 articles about (Z)-2-propylhept-2-enal 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: 93.0%

pentanal (110-62-3) → 2-propylheptenal (34880-43-8)

Guidance literature:

With rac-Pro-OH; In methanol; N,N-dimethyl-formamide; at 20 ℃; Molecular sieve; Inert atmosphere;

DOI:10.1002/adsc.201500573

Reference yield: 73.0%

pentanal (110-62-3) + benzyltrimethylsilane (770-09-2) → 2-propylheptenal (34880-43-8) + (+/-)-1-phenylhexan-2-ol (25755-72-0)

Guidance literature:

With tetrabutylammonium triphenyldifluorosilicate; In tetrahydrofuran; at 70 ℃; for 6h; Concentration; Temperature; Time; Inert atmosphere;

DOI:10.1016/j.tet.2013.05.078

Reference yield: 55.0%

pentanal (110-62-3) + butyraldehyde (123-72-8) → 2-ethyl-pent-2-enal (3491-57-4) + 2-propylheptenal (34880-43-8)

Guidance literature:

With sodium hydroxide; In water; at 50 ℃; under 150.015 Torr; Temperature;

upstream raw materials:

(+/-)-threo-2,3-dihydroxy-hexanoic acid

erythro-2,3-dihydroxyhexanoic acid

pentanal

2-pentyloxirane

Downstream raw materials:

2-propyl heptanoic acid

2-(n-propyl)-heptanal

2-propylheptan-1-ol

(Z,E)-2-propylhept-2-en-1-ol

Refernces

• 1、 Zhao, Lili,An, Hualiang,Zhao, Xinqiang,Wang, Yanji. "Effect of Ni/Co mass ratio and NiO-Co3O4loading on catalytic performance of NiO-Co3O4/Nb2O5-TiO2for direct synthesis of 2-propylheptanol from n -valeraldehyde". . p. 1736 - 1742. Retrieved 2021/01/20.
• 2、 Qian, Cunwei,Yao, Changsheng,Yang, Liujun,Yang, Bo,Liu, Shuchun,Liu, Zongtang. "Preparation and Application of Silica Films Supported Imidazolium-Based Ionic Liquid as Efficient and Recyclable Catalysts for Benzoin Condensations". . p. 1389 - 1396. Retrieved 2019/11/21.