Pentadecanoyl chloride

Base Information

• Chemical Name: Pentadecanoyl chloride
• CAS No.: 17746-08-6
• Molecular Formula: C15H29 Cl O
• Molecular Weight: 260.848
• Hs Code.: 2915900090
• European Community (EC) Number: 623-923-6
• NSC Number: 97420
• DSSTox Substance ID: DTXSID50294614
• Nikkaji Number: J110.172B
• Wikidata: Q82033994
• Mol file: 17746-08-6.mol

Synonyms:Pentadecanoyl chloride;17746-08-6;NSC97420;SCHEMBL1339420;DTXSID50294614;PQZWQGNQOVDTRF-UHFFFAOYSA-N;NSC-97420;AKOS024386330;Pentadecanoyl chloride, ~99%, liquid;Pentadecanoyl chloride, >=98.0% (GC);FT-0637598;J-011285

Chemical Property of Pentadecanoyl chloride

Chemical Property:

• Vapor Pressure: 0.346mmHg at 25°C
• Refractive Index: n20/D 1.451
• Boiling Point: 310.4°Cat760mmHg
• Flash Point: 147.8°C
• PSA: 17.07000
• Density: 0.916g/cm³
• LogP: 5.84300
• Storage Temp.: −20°C
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 260.1906932
• Heavy Atom Count: 17
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

Pentadecanoyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-37
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(=O)Cl

Technology Process of Pentadecanoyl chloride

There total 5 articles about Pentadecanoyl 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: 93.0%

→ pentadecanoyl chloride (17746-08-6)

Guidance literature:

Reference yield:

palmitic acid (1002-84-2) → pentadecanoyl chloride (17746-08-6)

Guidance literature:

With thionyl chloride;

Reference yield:

1-bromotridecane (765-09-3) → pentadecanoyl chloride (17746-08-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH, diisopropylamine, 2.) n-BuLi, 3.)

2: SOCl₂ / 8 h / Heating

With n-butyllithium; thionyl chloride; sodium hydride; diisopropylamine;

DOI:10.1021/jm00087a016

upstream raw materials:

palmitic acid

1-bromotridecane

oxalyl dichloride

Downstream raw materials:

3-oxo-heptadecanoic acid methyl ester

pentadecanoic acid[2,6-diethyl-2,3,6-trimethyl-1-(1-phenyl-ethoxy)-piperidin-4-yl]-amide

1-phenylpentadecan-1-one

2-hydroxy-n-pentadecanophenone

Refernces

• 1、 Fattah, Tanzeela Abdul,Bua, Silvia,Saeed, Aamer,Shabir, Ghulam,Supuran, Claudiu T.. "3-Aminobenzenesulfonamides incorporating acylthiourea moieties selectively inhibit the tumor-associated carbonic anhydrase isoform IX over the off-target isoforms I, II and IV". . p. 123 - 128. Retrieved 2018/10/20.
• 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.