1,44-Tetratetracontanediol

Base Information

• Chemical Name: 1,44-Tetratetracontanediol
• CAS No.: 91146-06-4
• Molecular Formula: C44H90O2
• Molecular Weight: 651.18400
• DSSTox Substance ID: DTXSID00526811
• Wikidata: Q82395656
• Mol file: 91146-06-4.mol

Synonyms:1,44-Tetratetracontanediol;91146-06-4;TETRATETRACONTANE-1,44-DIOL;SCHEMBL5081026;DTXSID00526811

Chemical Property of 1,44-Tetratetracontanediol

Chemical Property:

• Melting Point: 116.9 °C
• Boiling Point: 703.4±33.0 °C(Predicted)
• PSA: 40.46000
• Density: 0.868±0.06 g/cm3(Predicted)
• LogP: 15.35520
• XLogP3: 20.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 43
• Exact Mass: 650.69408211
• Heavy Atom Count: 46
• Complexity: 448

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCCCCCCCCCCCCCCCCO)CCCCCCCCCCCCCCCCCCCCCO

Technology Process of 1,44-Tetratetracontanediol

There total 12 articles about 1,44-Tetratetracontanediol 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: 85.1%

1,44-di(2-tetrahydrofuranyloxy)tetratetracontane (91146-05-3) → 1,44-tetratetracontanediol (91146-06-4)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; for 2h; Heating;

Reference yield:

1-Bromo-11-hydroxyundecane (1611-56-9) → 1,44-tetratetracontanediol (91146-06-4)

Guidance literature:

Multi-step reaction with 7 steps

1: 91.6 percent / p-toluenesulfonic acid / diethyl ether / 3 h / 19 - 20 °C

2: 90.1 percent / Na / diethyl ether; xylene / 10 h / 25 - 30 °C

3: 97.8 percent / p-toluenesulfonic acid / methanol / 2 h / Heating

4: 93.8 percent / 48percent HBr / H₂O; cyclohexane / 48 h / 80 °C

5: 98.6 percent / p-toluenesulfonic acid / diethyl ether / 2 h / 19 - 20 °C

6: 86.6 percent / Na / H₂O; xylene; diethyl ether

7: 85.1 percent / p-toluenesulfonic acid / methanol / 2 h / Heating

With hydrogen bromide; sodium; toluene-4-sulfonic acid; In methanol; diethyl ether; cyclohexane; water; xylene;

Reference yield:

11-bromoundecanoic acid (2834-05-1) → 1,44-tetratetracontanediol (91146-06-4)

Guidance literature:

Multi-step reaction with 9 steps

1: 93.4 percent / LiAlH₄ / diethyl ether / 0.5 h / Heating

2: 91.6 percent / p-toluenesulfonic acid / diethyl ether / 3 h / 19 - 20 °C

3: 90.1 percent / Na / diethyl ether; xylene / 10 h / 25 - 30 °C

4: 97.8 percent / p-toluenesulfonic acid / methanol / 2 h / Heating

5: 93.8 percent / 48percent HBr / H₂O; cyclohexane / 48 h / 80 °C

6: 98.6 percent / p-toluenesulfonic acid / diethyl ether / 2 h / 19 - 20 °C

7: 86.6 percent / Na / H₂O; xylene; diethyl ether

8: 85.1 percent / p-toluenesulfonic acid / methanol / 2 h / Heating

With lithium aluminium tetrahydride; hydrogen bromide; sodium; toluene-4-sulfonic acid; In methanol; diethyl ether; cyclohexane; water; xylene;

upstream raw materials:

22-bromo-1-(trimethylsilyloxy)docosane

1,44-di(2-tetrahydrofuranyloxy)tetratetracontane

1-Bromo-11-hydroxyundecane

11-bromoundecanoic acid