1,2-Tetradecanediol

Base Information

• Chemical Name: 1,2-Tetradecanediol
• CAS No.: 21129-09-9
• Molecular Formula: C14H30O2
• Molecular Weight: 230.391
• Hs Code.: 2905399090
• European Community (EC) Number: 244-228-0
• NSC Number: 71507
• UNII: XJ32081WYO
• DSSTox Substance ID: DTXSID501021933
• Nikkaji Number: J104.774D
• Wikidata: Q27158214
• Mol file: 21129-09-9.mol

Synonyms:1,2-Tetradecanediol;Tetradecane-1,2-diol;21129-09-9;Myristyl glycol;XJ32081WYO;NSC-71507;Dodecyl Glycol;tetradecylene glycol;NSC71507;1,2-tetradecanadiol;1,2-Dihydroxytetradecane;NCIOpen2_003424;UNII-XJ32081WYO;SCHEMBL466171;MYRISTYL GLYCOL [INCI];N-TETRADECANE-1,2-DIOL;(+/-)-MYRISTYL GLYCOL;CHEBI:84951;1,2-TETRADECYLENE GLYCOL;DTXSID501021933;WAA12909;EINECS 244-228-0;MYRISTYL GLYCOL, (+/-)-;MFCD00009986;NSC 71507;AKOS015837552;AI3-13104;1,2-Tetradecanediol, technical grade, 90%;AM20090178;FT-0638096;T1353;W-110526;Q27158214;1-(2,3-Dimethyl-1H-indol-5-yl)-N,N-dimethylmethanamine

Chemical Property of 1,2-Tetradecanediol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 67 °C
• Refractive Index: 1.461
• Boiling Point: 331.052 °C at 760 mmHg
• PKA: 14.45±0.20(Predicted)
• Flash Point: 143.808 °C
• PSA: 40.46000
• Density: 0.903 g/cm³
• LogP: 3.65060
• Storage Temp.: 2-8°C
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 230.224580195
• Heavy Atom Count: 16
• Complexity: 126

Purity/Quality:

98%, ^*data from raw suppliers

1,2-Tetradecanediol >90.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(CO)O
• Uses: 1,2-Dihydroxytetradecane is used in method for producing 1,2-Alkane Diols in a solid dosage form.

Technology Process of 1,2-Tetradecanediol

There total 9 articles about 1,2-Tetradecanediol 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: 95.0%

1-tetradecene (1120-36-1) → tetradecane-1,2-diol (21129-09-9)

Guidance literature:

With osmium(VIII) oxide; 4-methylmorpholine N-oxide; In various solvent(s); at 25 ℃; for 2h;

DOI:10.1039/b305154b

Reference yield: 87.0%

4-n-dodecyl-1,3-dioxolan-2-one → tetradecane-1,2-diol (21129-09-9)

Guidance literature:

With potassium tert-butylate; hydrogen; C₁₆H₁₈BrCoINO₂; In dibutyl ether; at 160 ℃; for 20h; under 45004.5 Torr; Sealed tube; Autoclave;

DOI:10.1002/cctc.202001490

Reference yield: 52.0%

C26H52B2O4 → tetradecane-1,2-diol (21129-09-9) + C20H41BO3

Guidance literature:

With tert.-butylhydroperoxide; potassium hydride; In tetrahydrofuran; at 23 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.9b01204

upstream raw materials:

1-tetradecene

1,2-epoxytetradecane

carbon dioxide

Downstream raw materials:

indole

1-tetradecene

3-octanone

tetradecan-2-one

Refernces

• 1、 Walker, Richard A.,Marangoni, D. Gerrard,Smith-Palmer, Truis. "A capillary electrophoretic determination of the kinetics of tetradecanedisulfate hydrolysis". . p. 227 - 231. Retrieved 1999.
• 2、 -. "1. 2 - O-alcohol synthetic method of the compound (by machine translation)". Paragraph 0034; 0035. . Retrieved 2019/03/17.
• 3、 Wen, Haimeng,Xie, Jingyan,Zhou, Yang,Zhou, Yu,Wang, Jun. "Straightforward synthesis of MTW-type magnesium silicalite for CO2 fixation with epoxides under mild conditions". . p. 5725 - 5735. Retrieved 2019/10/23.