2,3-Dihydro-5-hydroxy-2,2-dipentyl-4,6-di-tert-butylbenzofuran

Base Information

Chemical Name:2,3-Dihydro-5-hydroxy-2,2-dipentyl-4,6-di-tert-butylbenzofuran
CAS No.:157360-23-1
Molecular Formula:C₂₆H₄₄O₂
Molecular Weight:388.634
Hs Code.:
UNII:2VSP9T5LRX
DSSTox Substance ID:DTXSID20166253
Nikkaji Number:J854.979F
Wikidata:Q83035472
ChEMBL ID:CHEMBL104186
Mol file:157360-23-1.mol

Synonyms:2,3-dihydro-5-hydroxy-2,2-dipentyl-4,6-di-tert-butylbenzofuran;4,6-di-tert-butyl-2,3-dihydro-2,2-dipentyl-5-benzofuranol;BO 653;BO-653

Suppliers and Price of 2,3-Dihydro-5-hydroxy-2,2-dipentyl-4,6-di-tert-butylbenzofuran

Supply Marketing:

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

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Chemical Property of 2,3-Dihydro-5-hydroxy-2,2-dipentyl-4,6-di-tert-butylbenzofuran

Chemical Property:

XLogP3:9.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:388.334130642
Heavy Atom Count:28
Complexity:460

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC1(CC2=C(O1)C=C(C(=C2C(C)(C)C)O)C(C)(C)C)CCCCC
Recent ClinicalTrials:A Blinded Study Conducted at Multiple Centers Evaluating Various Doses of an Investigational Agent (BO-653) Against Placebo, for Safety and Effectiveness in Preventing Post-Angioplasty Blood Vessel Re-Closure (Restenosis) in Stented Vessels.

Technology Process of 2,3-Dihydro-5-hydroxy-2,2-dipentyl-4,6-di-tert-butylbenzofuran

There total 10 articles about 2,3-Dihydro-5-hydroxy-2,2-dipentyl-4,6-di-tert-butylbenzofuran 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: 93.2%

: 390393-99-4
5-acetoxy-4,6-di-tert-butyl-2,3-dihydro-2,2-dipenthylbenzofuran

: 157360-23-1
2,3-dihydro-5-hydroxy-4,6-di-tert-butyl-2,2-dipentylbenzofuran

Guidance literature:: 5-acetoxy-4,6-di-tert-butyl-2,3-dihydro-2,2-dipenthylbenzofuran; With potassium hydroxide; In propan-1-ol; at 100 - 120 ℃; for 2h;

With citric acid; In propan-1-ol; water; at 30 ℃;

Reference yield:

: 1252024-18-2
C₂₆H₄₆O₃

: 157360-23-1
2,3-dihydro-5-hydroxy-4,6-di-tert-butyl-2,2-dipentylbenzofuran

Guidance literature:: With methanesulfonic acid; In N,N-dimethyl-formamide; at 0 ℃; for 1.5h;
DOI:10.1016/j.tetlet.2010.07.035

Reference yield:

: 489-01-0
2,6-Di-t-butyl-4-methoxyphenol

: 157360-23-1
2,3-dihydro-5-hydroxy-4,6-di-tert-butyl-2,2-dipentylbenzofuran

Guidance literature:: Multi-step reaction with 7 steps

1.1: 88 percent / H₂SO₄ / 2 h / 70 °C

2.1: 80 percent / iodotrimethylsilane / CH₂Cl₂ / 48 h / 20 °C

3.1: AcOH; H₂SO₄ / 48 h / 20 °C

3.2: aq. HCl / ethanol / 2 h / Heating

4.1: 19.0 g / (CH₂)6N₄; aq. AcOH / 4 h / Heating

5.1: Mg / tetrahydrofuran

5.2: 40 percent / tetrahydrofuran / 2 h / 20 °C

6.1: BF₃*OEt₂ / CH₂Cl₂ / 4.5 h / 20 °C

7.1: 55.0 g / LiAlH₄ / tetrahydrofuran / 3 h / Heating

With lithium aluminium tetrahydride; trimethylsilyl iodide; (CH₂)6N₄; sulfuric acid; boron trifluoride diethyl etherate; magnesium; acetic acid; In tetrahydrofuran; dichloromethane; 5.2: Grignard reaction;
DOI:10.1021/jm030062a