5-Henicosylbenzene-1,3-diol

Base Information

• Chemical Name: 5-Henicosylbenzene-1,3-diol
• CAS No.: 70110-59-7
• Molecular Formula: C27H48O2
• Molecular Weight: 404.677
• European Community (EC) Number: 663-997-7
• DSSTox Substance ID: DTXSID50220397
• Nikkaji Number: J167.349A
• Wikidata: Q75063697
• Metabolomics Workbench ID: 44667
• ChEMBL ID: CHEMBL1795554
• Mol file: 70110-59-7.mol

Synonyms:5-henicosylbenzene-1,3-diol;70110-59-7;5-HENEICOSYLRESORCINOL;5-N-Heneicosylresorcinol;5-Heneicosyl-1,3-benzenediol;1,3-Benzenediol, 5-heneicosyl-;5-Henicosylresorcinol;5-heneicosylbenzene-1,3-diol;SCHEMBL2181450;CHEMBL1795554;DTXSID50220397;CHEBI:166655;LMPK15030005;5-Heneicosylresorcinol, analytical standard;HY-113430

Chemical Property of 5-Henicosylbenzene-1,3-diol

Chemical Property:

• Vapor Pressure: 1.04E-11mmHg at 25°C
• Boiling Point: 526.7°Cat760mmHg
• Flash Point: 214.9°C
• Density: 0.935g/cm³
• XLogP3: 12.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 404.365430770
• Heavy Atom Count: 29
• Complexity: 321

Purity/Quality:

Analysis control,98.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O

Technology Process of 5-Henicosylbenzene-1,3-diol

There total 7 articles about 5-Henicosylbenzene-1,3-diol 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:

1-Bromoeicosane (4276-49-7) → 1,3-dihydroxy-5-heneicosylbenzene (70110-59-7)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) MeI, Mg, Et₂O, (ii) /BRN= 2042374/

2: H₂, H₂SO₄ / Pd-C / ethyl acetate / 55 °C

3: Py*HCl / Heating

With sulfuric acid; hydrogen; pyridine hydrochloride; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/jo01025a046

Reference yield:

3,5-dimethoxybenzaldehdye (7311-34-4) → 1,3-dihydroxy-5-heneicosylbenzene (70110-59-7)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) MeI, Mg, Et₂O, (ii) /BRN= 2042374/

2: H₂, H₂SO₄ / Pd-C / ethyl acetate / 55 °C

3: Py*HCl / Heating

With sulfuric acid; hydrogen; pyridine hydrochloride; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/jo01025a046

Reference yield:

α-(3,5-Dimethoxy-phenyl)-heneicosanol (96377-33-2) → 1,3-dihydroxy-5-heneicosylbenzene (70110-59-7)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂, H₂SO₄ / Pd-C / ethyl acetate / 55 °C

2: Py*HCl / Heating

With sulfuric acid; hydrogen; pyridine hydrochloride; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/jo01025a046

upstream raw materials:

1-heneicosyl-3,5-dimethoxybenzene

1,3-dimethoxyphenol-5-nonadecylbenzene

3,5-dimethoxybenzyl alcohol

3,5-dimethoxybenzyl bromide

Downstream raw materials:

5-Heneicosyl-resorcin-diacetat

[2,4,6-2H₃]-5-heneicosylresorcinol