Pentadecane, 1-chloro-

Base Information

• Chemical Name: Pentadecane, 1-chloro-
• CAS No.: 4862-03-7
• Molecular Formula: C15H31Cl
• Molecular Weight: 246.864
• DSSTox Substance ID: DTXSID2063630
• Nikkaji Number: J97.519B
• Wikidata: Q81990882
• Mol file: 4862-03-7.mol

Synonyms:1-CHLOROPENTADECANE;Pentadecane, 1-chloro-;CHLOROPENTADECANE;4862-03-7;1-chloro-pentadecane;N-pentadecyl chloride;Pentadecane, 1-chloro;SCHEMBL4055210;C15-H31-Cl;DTXSID2063630;AKOS013837496

Chemical Property of Pentadecane, 1-chloro-

Chemical Property:

• Melting Point: 14.7°C
• Refractive Index: 1.4468
• Boiling Point: 307.8°Cat760mmHg
• Flash Point: 130.6°C
• PSA: 0.00000
• Density: 0.858g/cm³
• LogP: 6.31640
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 246.2114287
• Heavy Atom Count: 16
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCl

Technology Process of Pentadecane, 1-chloro-

There total 23 articles about Pentadecane, 1-chloro- 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: 96.0%

N-palmitoxy-2-pyridinethione (89025-67-2) → 2-<(trichloromethyl)thio>pyridine (66832-24-4) + 1-chloropentadecane (4862-03-7)

Guidance literature:

With tetrachloromethane; at 20 ℃; for 0.0333333h; Yields of byproduct given; Irradiation; light source: 350 nm;

DOI:10.1016/S0040-4039(01)80425-1

Reference yield: 94.0%

palmitic acid N-hydroxysuccinimide ester (94815-94-8) → 1-chloropentadecane (4862-03-7)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; tetrachloromethane; In water; tert-butyl alcohol; for 2h; Irradiation;

DOI:10.1039/c39890001636

Reference yield: 92.0%

N-palmitoxy-2-pyridinethione (89025-67-2) → 2-<(trichloromethyl)thio>pyridine (66832-24-4) + 1-chloropentadecane (4862-03-7) + n-pentadecyl-2'-pyridylsulphide (89025-53-6)

Guidance literature:

With tetrachloromethane; at 33 ℃; Product distribution; Mechanism; Irradiation; other thiohydroxamic esters, other reagents, var. temp.;

DOI:10.1021/jo00287a023

upstream raw materials:

silver palmitate

tetrachloromethane

N-palmitoxy-2-pyridinethione

4-methyl-3-[(1-oxohexadecyl)oxy]-2(3H)-thiazolethione

Downstream raw materials:

N-pentadecyl-aniline

4-Pentadecyloxy-benzoic acid methyl ester

Refernces

• 1、 Dauben, William G.,Bridon, Dominique P.,Kowalczyk, Bruce A.. "Sonication-Induced Reductive Decarboxylation of Thiohydroxamic Esters". . p. 376 - 378. Retrieved 2007/10/02.
• 2、 Okada, Keiji,Okamoto, Kazushige,Oda, Masaji. "Photochemical Chlorodecarboxylation via an Electron Transfer Mechanism". . p. 1636 - 1637. Retrieved 2007/10/02.