3-Heptadecylcatechol

Base Information

Chemical Name:3-Heptadecylcatechol
CAS No.:5862-27-1
Molecular Formula:C23H40O2
Molecular Weight:348.569
Hs Code.:
UNII:29R0483XLZ
DSSTox Substance ID:DTXSID60207331
Nikkaji Number:J303.714B
Wikidata:Q27126465
Metabolomics Workbench ID:60409
Mol file:5862-27-1.mol

Synonyms:3-heptadecylcatechol;heptadecylcatechol

Suppliers and Price of 3-Heptadecylcatechol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-HEPTADECYLCATECHOL 98.00%
10MG
$ 1443.75

Total 11 raw suppliers

Chemical Property of 3-Heptadecylcatechol

Chemical Property:

Vapor Pressure:1.64E-09mmHg at 25°C
Melting Point:98.9℃
Refractive Index:1.506
Boiling Point:471.5 °C at 760 mmHg
PKA:9.89±0.10(Predicted)
Flash Point:199.1 °C
PSA：40.46000
Density:0.95 g/cm³
LogP:7.51170
XLogP3:10.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:16
Exact Mass:348.302830514
Heavy Atom Count:25
Complexity:279

Purity/Quality:

99% ^*data from raw suppliers

3-HEPTADECYLCATECHOL 98.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O
Recent ClinicalTrials:Efficacy and Safety of Lymphdiaral Basistropfen (HDC) in the Treatment of Chronic Low-back Pain

Technology Process of 3-Heptadecylcatechol

There total 19 articles about 3-Heptadecylcatechol 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: 97.0%

: 72587-79-2
O-dimethyl-3-heptadecylcatechol

: 5862-27-1
3-heptadecylbenzene-1,2-diol (hydrolaccol)

Guidance literature:: With boron tribromide; In dichloromethane; for 24h; Ambient temperature;
DOI:10.1021/jm00133a007

Reference yield: 85.0%

: 117651-81-7
1-(2,5-Dimethoxy-tetrahydro-furan-2-yl)-nonadecan-1-one

: 5862-27-1
3-heptadecylbenzene-1,2-diol (hydrolaccol)

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; for 10h; Heating;
DOI:10.1055/s-1990-26889

Reference yield:

: 5653-67-8
2,3-dimethoxybenzyl alcohol

: 5862-27-1
3-heptadecylbenzene-1,2-diol (hydrolaccol)

Guidance literature:: Multi-step reaction with 5 steps

1: 98 percent / PBr₃ / diethyl ether / 2.5 h / Ambient temperature

2: 99 percent / benzene / 5 h / Heating

3: n-BuLi / tetrahydrofuran; hexane / 16 h / Heating

4: H₂ / Pd-C / 2-methyl-propan-2-ol

5: 78 percent / BBr₃ / CH₂Cl₂

With n-butyllithium; hydrogen; boron tribromide; phosphorus tribromide; palladium on activated charcoal; In tetrahydrofuran; diethyl ether; hexane; dichloromethane; tert-butyl alcohol; benzene;
DOI:10.1002/jps.2600720719