Heptadecanoyl chloride

Base Information

• Chemical Name: Heptadecanoyl chloride
• CAS No.: 40480-10-2
• Molecular Formula: C17H33ClO
• Molecular Weight: 288.901
• Hs Code.: 2915900090
• European Community (EC) Number: 624-180-0
• DSSTox Substance ID: DTXSID80393225
• Nikkaji Number: J110.174I
• Wikidata: Q82191901
• Mol file: 40480-10-2.mol

Synonyms:Heptadecanoyl chloride;40480-10-2;Margaroyl chloride;MARGAROYLCHLORIDE;n-Heptadecanoyl chloride;MFCD00000743;n-Heptadecanoyl chloride;Heptadecanoyl chloride, 98%;SCHEMBL2763514;hexadecanecarboxylic acid chloride;DTXSID80393225;ICDQUAGMQCUEMY-UHFFFAOYSA-N;Heptadecanoyl chloride, ~99%, liquid;1,5-DIAMINOPENTANEDIHYDROCHLORIDE;BS-52925;FT-0639646;H0782;D90952

Chemical Property of Heptadecanoyl chloride

Chemical Property:

• Vapor Pressure: 5.05E-05mmHg at 25°C
• Melting Point: 13 °C
• Refractive Index: n20/D 1.453(lit.)
• Boiling Point: 176oC4 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 17.07000
• Density: 0.883 g/mL at 25oC(lit.)
• LogP: 6.62320
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 288.2219934
• Heavy Atom Count: 19
• Complexity: 192

Purity/Quality:

98% ^*data from raw suppliers

Heptadecanoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1781006
• Hazard Codes: C
• Statements: 34-37
• Safety Statements: 26-36/37/39-45

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)Cl
• Uses: Heptadecanoyl chloride was used in the synthesis of N-heptadecanoylethanolamine by reacting with ethanolamine.

Technology Process of Heptadecanoyl chloride

There total 4 articles about Heptadecanoyl chloride 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: 81.2%

→ heptadecanoyl chloride (40480-10-2)

Guidance literature:

Reference yield:

heptadecanoic acid (506-12-7) → heptadecanoyl chloride (40480-10-2)

Guidance literature:

With thionyl chloride;

Reference yield:

oxalyl dichloride (79-37-8) + heptadecanoic acid (506-12-7) → heptadecanoyl chloride (40480-10-2)

Guidance literature:

In dichloromethane; for 12h; Inert atmosphere;

DOI:10.1039/c4nj01247j

upstream raw materials:

oxalyl dichloride

Hexadecane

heptadecanoic acid

Downstream raw materials:

1-(2-hydroxy-4-methoxy-6-methyl-phenyl)-heptadecan-1-one

1-(2-hydroxy-4-methoxy-3-methyl-phenyl)-heptadecan-1-one

1-(2-hydroxy-4-methoxy-3,6-dimethyl-phenyl)-heptadecan-1-one

octadecan-2-one

Refernces

• 1、 Arul Prakash, Sukanya,Kamlekar, Ravi Kanth. "Characterization of the molecular packing, thermotropic phase behaviour and critical micellar concentration of a homologous series of N-acyltaurines (n = 9–18). PXRD, DSC and fluorescence spectroscopic studies". . . Retrieved 2020/06/22.
• 2、 Lazarevi?, Jelena,Kolarevi?, Ana,Dordevi?, Aleksandra,Stojanovi?, Gordana,?melcerovi?, Andrija,Ciuffreda, Pierangela,Santaniello, Enzo. "Synthesis, antimicrobial activity and in silico studies on thymol esters". . p. 603 - 612. Retrieved 2017/09/11.