Stilbostemin B

Base Information

• Chemical Name: Stilbostemin B
• CAS No.: 162411-67-8
• Molecular Formula: C15H16O2
• Molecular Weight: 228.28600
• DSSTox Substance ID: DTXSID20438942
• Nikkaji Number: J641.646B
• Wikidata: Q72508945
• Metabolomics Workbench ID: 136615
• ChEMBL ID: CHEMBL464662
• Mol file: 162411-67-8.mol

Synonyms:STILBOSTEMIN B;162411-67-8;1,3-Benzenediol, 2-methyl-5-(2-phenylethyl)-;2-METHYL-5-(2-PHENYLETHYL)BENZENE-1,3-DIOL;starbld0000814;CHEMBL464662;3,5-dihydroxy-4-methylbibenzyl;DTXSID20438942;AKOS032948882;FS-9357

Chemical Property of Stilbostemin B

Chemical Property:

• PSA: 40.46000
• LogP: 3.19140
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.115029749
• Heavy Atom Count: 17
• Complexity: 211

Purity/Quality:

99.90% ^*data from raw suppliers

StilbosteminB ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O

Technology Process of Stilbostemin B

There total 1 articles about Stilbostemin B 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:

PhCH2K/Li + 1,3-dimethoxy-2,5-dimethylbenzene (21390-25-0) → 2-methyl-5-phenethylbenzene-1,3-diol (162411-67-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 2,2,6,6-tetramethyl-piperidine; n-butyllithium; potassium tert-butylate / tetrahydrofuran; hexane; cyclohexane / 1 h / -78 °C / Inert atmosphere

1.2: -78 °C / Inert atmosphere

1.3: -78 - 20 °C / Inert atmosphere

2.1: boron tribromide / dichloromethane / 3.5 h / 20 °C / Inert atmosphere

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; potassium tert-butylate; boron tribromide; In tetrahydrofuran; hexane; dichloromethane; cyclohexane;

DOI:10.1021/jo3000805

Reference yield: 58.0%

3-methylbut-2-enylidene diacetate (56269-68-2) + 2-methyl-5-phenethylbenzene-1,3-diol (162411-67-8) → bauhinol D (848132-03-6)

Guidance literature:

With palladium dichloride; In 1,2-dichloro-ethane; at 70 ℃; for 6h;

DOI:10.1021/acscatal.1c05450

upstream raw materials:

1,3-dimethoxy-2,5-dimethylbenzene

Downstream raw materials:

bauhinol D

Refernces