1,13-Tridecanediol

Base Information

• Chemical Name: 1,13-Tridecanediol
• CAS No.: 13362-52-2
• Molecular Formula: C13H28O2
• Molecular Weight: 216.364
• Hs Code.: 2905399090
• DSSTox Substance ID: DTXSID80453878
• Nikkaji Number: J656.785A
• Wikidata: Q72510556
• Mol file: 13362-52-2.mol

Synonyms:1,13-Tridecanediol;Tridecane-1,13-diol;13362-52-2;C13H28O2;MFCD00482067;SCHEMBL160056;BDBM36275;DTXSID80453878;AKOS015856536;DS-12443;SY113137;CS-0158374;FT-0613456;A888042

Chemical Property of 1,13-Tridecanediol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 76.6°C
• Refractive Index: 1.461
• Boiling Point: 343.889 °C at 760 mmHg
• PKA: 14.90±0.10(Predicted)
• Flash Point: 154.807 °C
• PSA: 40.46000
• Density: 0.909 g/cm³
• LogP: 3.26210
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 216.208930132
• Heavy Atom Count: 15
• Complexity: 92.7

Purity/Quality:

98%, ^*data from raw suppliers

1,13-Tridecanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCO)CCCCCCO
• Uses: 1,13-Tridecanediol is a useful reagent for organic synthesis. It is used in the preparation of single-chain bis(phosphocholines) and in the synthesis of (Z)-alkenols and their acetates.

Technology Process of 1,13-Tridecanediol

There total 17 articles about 1,13-Tridecanediol 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: 99.0%

dimethyl 1,11-undecanedicarboxylate (1472-87-3) → 1,13-tridecanediol (13362-52-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 0.5h;

Reference yield: 98.0%

1,4-dioxa-cycloheptadecane-5,17-dione (105-95-3,91462-25-8) → 1,13-tridecanediol (13362-52-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3.5h; Ambient temperature;

Reference yield: 97.0%

brassylic acid (505-52-2) → 1,13-tridecanediol (13362-52-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 5.5h; Reflux;

DOI:10.1039/d0ob01756f

upstream raw materials:

trideca-2c,11c-diene-1,13-diol

brassylic acid

dimethyl 1,11-undecanedicarboxylate

diethyl 1,11-undecanedicarboxylate

Downstream raw materials:

tridecan-1-ol

13-bromo-1-tridecylalcohol

13-bromotridecanoic acid

1-chloro-13-hydroxytridecane

Refernces

• 1、 Wang,Wulff,Rheingold. "Unexpected regiochemistry in the benzannulation reaction of Fischer carbene complexes in the synthesis of cyclophanes [14]". . p. 9862 - 9863. Retrieved 2000.
• 2、 Della Gatta, Giuseppe,Jozwiak, Malgorzata,Ferloni, Paolo. "Heat capacities near room temperature of ten solid alkane-α, ω-diols HO-(CH2)n-OH where n = 6 and 8 ≤ n ≤ 16". . p. 537 - 546. Retrieved 1999.
• 3、 Schink, Carina,Spielvogel, Sandra,Imhof, Wolfgang. "Synthesis of 13C-labelled ω-hydroxy carboxylic acids of the general formula HO213C-(CH2)n-CH2OH or HO2C-(CH2)n-13CH2OH (n = 12, 16, 20, 28)". . p. 385 - 402. Retrieved 2021/07/10.
• 4、 -. "METABOLICALLY STABLE PRODRUGS". Paragraph 00119. . Retrieved 2020/01/24.