CnidiMol A

Base Information

• Chemical Name: CnidiMol A
• CAS No.: 103629-80-7
• Molecular Formula: C₁₅H₁₆O₅
• Molecular Weight: 276.289
• Mol file: 103629-80-7.mol

Synonyms:4H-1-Benzopyran-4-one,5,7-dihydroxy-6-(4-hydroxy-3-methyl-2-butenyl)-2-methyl-, (Z)-;4H-1-Benzopyran-4-one,5,7-dihydroxy-6-[(2Z)-4-hydroxy-3-methyl-2-butenyl]-2-methyl- (9CI); Cnidimol A

Chemical Property of CnidiMol A

Chemical Property:

• Boiling Point: 516.1±50.0 °C(Predicted)
• PKA: 6.59±0.40(Predicted)
• PSA: 90.90000
• Density: 1.346±0.06 g/cm3(Predicted)
• LogP: 1.99370

Purity/Quality:

98.5% ^*data from raw suppliers

CnidimolA 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CnidiMol A

There total 6 articles about CnidiMol A 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:

C15H18O6 → cnidimol A (103629-80-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 60 ℃; for 4h;

DOI:10.1021/acs.orglett.7b02290

Reference yield:

2,4,6-trihydroxyacetophenone (480-66-0,67471-34-5) → cnidimol A (103629-80-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 12 h / 20 °C

2: selenium(IV) oxide / ethanol / 12 h / 20 °C

3: pyridine / 4 h / 20 °C

4: sodium hydride / tetrahydrofuran / 4 h / 60 °C

With pyridine; selenium(IV) oxide; sodium hydride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; ethanol; 4: |Aldol Condensation;

DOI:10.1021/acs.orglett.7b02290

Reference yield:

prenyl bromide (870-63-3) → cnidimol A (103629-80-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 12 h / 20 °C

2: selenium(IV) oxide / ethanol / 12 h / 20 °C

3: pyridine / 4 h / 20 °C

4: sodium hydride / tetrahydrofuran / 4 h / 60 °C

With pyridine; selenium(IV) oxide; sodium hydride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; ethanol; 4: |Aldol Condensation;

DOI:10.1021/acs.orglett.7b02290

upstream raw materials:

2,4,6-trihydroxyacetophenone

prenyl bromide

2',4',6'-trihydroxy-3'-(3-methyl-2-butenyl)acetophenone

2-methyl-5-hydroxy-6-(2-butenyl-3-hydroxymethyl)-7-(β-D-glucopyranosyloxy)-4H-1-benzopyran-4-one

Refernces

• 1、 Cisowski, Wojciech,Grimshaw, James. "GLUCOSIDE OF CHROMONE FROM ANGELICA ARCHANGELICA L. AND ARCHANGELICA LITORALIS FRIES. HERBS". . p. 135 - 141. Retrieved 2007/10/02.