Docosanal

Base Information

• Chemical Name: Docosanal
• CAS No.: 57402-36-5
• Molecular Formula: C22H44O
• Molecular Weight: 324.591
• Hs Code.: 2912190090
• UNII: A5NJ9XW9A6
• DSSTox Substance ID: DTXSID80205995
• Nikkaji Number: J1.104.936B
• Wikidata: Q67879852
• Mol file: 57402-36-5.mol

Synonyms:Docosanal;57402-36-5;n-docosanal;Docosyl aldehyde;1-docosanal;MFCD07780595;behenyl aldehyde;A5NJ9XW9A6;SCHEMBL177433;DTXSID80205995;ULCXRAFXRZTNRO-UHFFFAOYSA-N;BBL101836;STL555633;AKOS005259713;SB85339;MS-20296;Q67879852

Chemical Property of Docosanal

Chemical Property:

• Vapor Pressure: 2.02E-05mmHg at 25°C
• Melting Point: 57-60℃
• Boiling Point: 361.8°Cat760mmHg
• Flash Point: 181.3°C
• PSA: 17.07000
• Density: 0.834g/cm³
• LogP: 8.00720
• Sensitive.: Air Sensitive
• XLogP3: 10.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 20
• Exact Mass: 324.339216023
• Heavy Atom Count: 23
• Complexity: 212

Purity/Quality:

98%min ^*data from raw suppliers

n-Docosanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC=O
• Uses: n-Docosanal is a long-chain aldehyde found in the composition of essential oils in various plants.

Technology Process of Docosanal

There total 6 articles about Docosanal 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%

n-docosanoic acid (112-85-6) → n-docosanal (57402-36-5)

Guidance literature:

With methylphenylsilane; 2,2-dimethylpropanoic anhydride; Tri(p-tolyl)phosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 60 ℃; for 20h; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201300451

Reference yield: 90.0%

docosanoyl chloride (21132-76-3) → n-docosanal (57402-36-5)

Guidance literature:

With triethylsilane; tris(2,4,6-trimethylphenyl)phosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 40 ℃; for 1.5h; Schlenk technique; Inert atmosphere;

DOI:10.1055/s-0032-1317155

Reference yield: 88.0%

1-docosanol (661-19-8) → n-docosanal (57402-36-5)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 6h; Molecular sieve; Inert atmosphere;

DOI:10.1002/ejoc.201101472

upstream raw materials:

1-docosanol

1-docosanoyl-3,5-dimethyl-1H-pyrazole

docosanoyl chloride

n-docosanoic acid

Downstream raw materials:

nonacosane-6,8-diol

1-docosanol

Refernces

• 1、 Loesche, Anne,Wiemann, Jana,Al Halabi, Zayan,Karasch, Julia,Sippl, Wolfgang,Csuk, René. "Unexpected AChE inhibitory activity of (2E)α,β-unsaturated fatty acids". . p. 3315 - 3319. Retrieved 2018/09/17.
• 2、 Busta, Lucas,Budke, Jessica M.,Jetter, Reinhard. "Identification of β-hydroxy fatty acid esters and primary, secondary-alkanediol esters in cuticular waxes of the moss Funaria hygrometrica". . p. 38 - 49. Retrieved 2015/12/01.