5-Heptylresorcinol

Base Information

• Chemical Name: 5-Heptylresorcinol
• CAS No.: 500-67-4
• Molecular Formula: C13H20O2
• Molecular Weight: 208.301
• Hs Code.: 2907299090
• European Community (EC) Number: 207-909-3
• UNII: B4PET57Y6R
• DSSTox Substance ID: DTXSID00198173
• Nikkaji Number: J182.250K
• Wikidata: Q72481490
• Mol file: 500-67-4.mol

Synonyms:5-Heptylresorcinol;500-67-4;5-heptylbenzene-1,3-diol;sphaerophorol;Spherophorol;B4PET57Y6R;1,3-Benzenediol, 5-heptyl-;EINECS 207-909-3;SPHAEROPHEROL;UNII-B4PET57Y6R;SCHEMBL70057;5-Heptyl-1,3-benzenediol #;RESORCINOL, 5-HEPTYL-;1,3-Dihydroxy-5-heptylbenzene;DTXSID00198173;AS-76900;CS-0257750;FT-0631210;FT-0632237;D93502;EN300-6764934;A827960;A1-19839;Z1509686509

Chemical Property of 5-Heptylresorcinol

Chemical Property:

• Vapor Pressure: 3.83E-05mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 342.3 °C at 760 mmHg
• Flash Point: 159.5 °C
• PSA: 40.46000
• Density: 1.033 g/cm³
• LogP: 3.61070
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 208.146329876
• Heavy Atom Count: 15
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

5-Heptylresorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=CC(=CC(=C1)O)O
• Uses: 5-Heptylresorcinol and other alkylhydroxybenzenes have been used to study the protective effect in Saccharomyces cerevisiae against oxidative and radiation-caused damage.

Technology Process of 5-Heptylresorcinol

There total 44 articles about 5-Heptylresorcinol 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%

2,2-dimethyl-5-(1-heptyl)-7-hydroxy-4H-1,3-benzodioxin-4-one (137571-77-8) → spherophorol (500-67-4)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 115 ℃; for 4.5h;

DOI:10.1021/ja00028a035

Reference yield: 99.0%

(E)-(((5-(hept-1-en-1-yl)-1,3-phenylene)bis(oxy))bis(methylene))dibenzene → spherophorol (500-67-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; ethyl acetate; for 15h;

Reference yield:

triethylammonium salt of sphaerophorin → spherophorol (500-67-4) + O-methylorcinol (3209-13-0) + 3-methoxy-5-methylphenyl 2-hydroxy-4-methoxy-6-methylbenzoate + decarboxysphaerophorin

Guidance literature:

at 180 ℃; for 0.166667h; Product distribution; pyrolysis;

upstream raw materials:

5-n-heptyl resorcinol dimethyl ether

sphaerophorin

2-Bromo-5-heptyl-3-hydroxy-cyclohex-2-enone

ethyl 2-heptyl-4,6-dihydroxybenzoate

Downstream raw materials:

3'-(benzyloxy)-6'-<<5''-(1-heptyl)-3''-hydroxyphenoxy>carbonyl>-5'-(1-heptyn-1-yl)phenyl 2,3-di-O-benzyl-D-galactofuranoside

3'-(benzyloxy)-6'-<<5''-(1-heptyl)-3''-hydroxyphenoxy>carbonyl>-5'-(1-heptyn-1-yl)phenyl 2,3-di-O-benzyl-L-galactofuranoside

KS-501

ent-KS-501

Refernces

• 1、 Golliher, Alexandra E.,Tenorio, Antonio J.,Dimauro, Nina O.,Mairata, Nicolas R.,Holguin, F. Omar,Maio, William. "Using (+)-carvone to access novel derivatives of (+)-ent-cannabidiol: The first asymmetric syntheses of (+)-ent-CBDP and (+)-ent-CBDV". . . Retrieved 2021/02/20.
• 2、 Matsuzawa, Miku,Katsuyama, Yohei,Funa, Nobutaka,Horinouchi, Sueharu. "Alkylresorcylic acid synthesis by type III polyketide synthases from rice Oryza sativa". experimental part. p. 1059 - 1067. Retrieved 2011/03/20.