Tridecanoyl chloride

Base Information

• Chemical Name: Tridecanoyl chloride
• CAS No.: 17746-06-4
• Molecular Formula: C13H25 Cl O
• Molecular Weight: 232.794
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID9066259
• Nikkaji Number: J110.171D
• Wikidata: Q81992846
• Mol file: 17746-06-4.mol

Synonyms:Tridecanoyl chloride;17746-06-4;Tridecanoylchloride;n-tridecanoic chloride;tridecanoic acid chloride;C13H25ClO;SCHEMBL434018;C13-H25-Cl-O;DTXSID9066259;Tridecanoyl chloride, >=99.0% (GC);FT-0733600;J-011284

Chemical Property of Tridecanoyl chloride

Chemical Property:

• Vapor Pressure: 0.00345mmHg at 25°C
• Refractive Index: n20/D 1.447
• Boiling Point: 282°Cat760mmHg
• Flash Point: 131.1°C
• PSA: 17.07000
• Density: 0.925g/cm³
• LogP: 5.06280
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 232.1593931
• Heavy Atom Count: 15
• Complexity: 146

Purity/Quality:

98%,99%, ^*data from raw suppliers

TridecanoicAcidChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(=O)Cl
• Uses: Tridecanoic Acid Chloride is an intermediate used in the synthesis of 5α-Dihydrotestosterone Tridecanoate-d3 (D454172), which is labeled Dihydrotestosterone Tridecanoate (D454170), a derivative of Androstanolone (A637540). Androstanolone (A637540) is an anabolic steroid.

Technology Process of Tridecanoyl chloride

There total 5 articles about Tridecanoyl 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: 95.9%

→ n-tridecanoyl chloride (17746-06-4)

Guidance literature:

Reference yield: 92.0%

tridecanoic acid (638-53-9) → n-tridecanoyl chloride (17746-06-4)

Guidance literature:

With thionyl chloride; for 2h; Heating;

DOI:10.1002/ardp.19963291008

Reference yield:

oxalyl dichloride (79-37-8) + tridecanoic acid (638-53-9) → n-tridecanoyl chloride (17746-06-4)

Guidance literature:

In benzene;

upstream raw materials:

tridecanoic acid

1-dodecylbromide

1-chlorododecane

oxalyl dichloride

Downstream raw materials:

1-phenyltridecan-1-one

Tridecanoic acid 2-(2,5-dimethyl-phenyl)-3-oxo-3H-inden-1-yl ester

Tridecanoic acid (3-chloro-4-nitro-phenyl)-amide

N-Tridodecanoyl-4-nitro-3-trifluormethyl-anilin

Refernces

• 1、 Beemelmanns, Christine,Jautzus, Theresa,King, Nicole,Leichnitz, Daniel,Peng, Chia-Chi,Ragu?, Luka,Regestein, Lars,Rutaganira, Florentine U. N.. "Structural and Functional Analysis of Bacterial Sulfonosphingolipids and Rosette-Inducing Factor 2 (RIF-2) by Mass Spectrometry-Guided Isolation and Total Synthesis". supporting information. . Retrieved 2022/01/04.
• 2、 -. "SUGAR FATTY ACID ESTER AND OIL GELLING AGENT". Paragraph 0029; 0033; 0045. . Retrieved 2019/07/29.