Irisflorentin

Base Information

• Chemical Name: Irisflorentin
• CAS No.: 41743-73-1
• Molecular Formula: C20H18O8
• Molecular Weight: 386.358
• Hs Code.: 29329990
• DSSTox Substance ID: DTXSID60194575
• Nikkaji Number: J16.937D
• Wikidata: Q27155343
• Metabolomics Workbench ID: 22556
• ChEMBL ID: CHEMBL487216
• Mol file: 41743-73-1.mol

Synonyms:irisflorentin

Chemical Property of Irisflorentin

Chemical Property:

• Vapor Pressure: 5.75E-13mmHg at 25°C
• Melting Point: 165-167 °C
• Refractive Index: 1.593
• Boiling Point: 569.1 °C at 760 mmHg
• Flash Point: 250.5 °C
• PSA: 85.59000
• Density: 1.348 g/cm³
• LogP: 3.22310
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 386.10016753
• Heavy Atom Count: 28
• Complexity: 593

Purity/Quality:

98%,99%, ^*data from raw suppliers

Irisflorentin ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4
• Uses: Irisfloretin is an anti-tumor flavonoid compound extracted from Belamcanda Chinesis (L.) with anti-tumor activity.

Technology Process of Irisflorentin

There total 10 articles about Irisflorentin 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:

(3,4,5-trimethoxyphenyl)methanol (3840-31-1) → 3',4',5',5-tetramethoxy-6,7-methylenedioxyisoflavone (41743-73-1)

Guidance literature:

Multi-step reaction with 9 steps

1: pyridinium chlorochromate / CH₂Cl₂ / 3 h

2: sodium acetate / acetic anhydride / Heating

3: NaOH / H₂O / Heating

4: hydroxylamine hydrochloride / aq. NaOH / 0.5 h / 60 °C

5: acetic anhydride / 0.08 h / Heating

6: ZnCl₂, HCl / diethyl ether / 5 h / 0 °C

7: 2.0 g / aq. potassium persulphate / aq. KOH / Ambient temperature

8: K₂CO₃ / acetone / 50 h / Heating

9: 1) Na, 2) conc.hydrochloric acid / 1) r.t., 2) heating, 15-20 min.

With hydrogenchloride; sodium hydroxide; potassium peroxomonosulphate; hydroxylamine hydrochloride; sodium acetate; sodium; acetic anhydride; potassium carbonate; pyridinium chlorochromate; zinc(II) chloride; In potassium hydroxide; sodium hydroxide; diethyl ether; dichloromethane; water; acetic anhydride; acetone;

Reference yield:

2-(3,4,5-trimethoxyphenyl)acetonitrile (13338-63-1) → 3',4',5',5-tetramethoxy-6,7-methylenedioxyisoflavone (41743-73-1)

Guidance literature:

Multi-step reaction with 4 steps

1: ZnCl₂, HCl / diethyl ether / 5 h / 0 °C

2: 2.0 g / aq. potassium persulphate / aq. KOH / Ambient temperature

3: K₂CO₃ / acetone / 50 h / Heating

4: 1) Na, 2) conc.hydrochloric acid / 1) r.t., 2) heating, 15-20 min.

With hydrogenchloride; potassium peroxomonosulphate; sodium; potassium carbonate; zinc(II) chloride; In potassium hydroxide; diethyl ether; acetone;

Reference yield:

3,4,5-trimethoxybenzoic acid methyl ester (1916-07-0) → 3',4',5',5-tetramethoxy-6,7-methylenedioxyisoflavone (41743-73-1)

Guidance literature:

Multi-step reaction with 10 steps

1: lithium aluminium hydride / diethyl ether / 3 h / Heating

2: pyridinium chlorochromate / CH₂Cl₂ / 3 h

3: sodium acetate / acetic anhydride / Heating

4: NaOH / H₂O / Heating

5: hydroxylamine hydrochloride / aq. NaOH / 0.5 h / 60 °C

6: acetic anhydride / 0.08 h / Heating

7: ZnCl₂, HCl / diethyl ether / 5 h / 0 °C

8: 2.0 g / aq. potassium persulphate / aq. KOH / Ambient temperature

9: K₂CO₃ / acetone / 50 h / Heating

10: 1) Na, 2) conc.hydrochloric acid / 1) r.t., 2) heating, 15-20 min.

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; potassium peroxomonosulphate; hydroxylamine hydrochloride; sodium acetate; sodium; acetic anhydride; potassium carbonate; pyridinium chlorochromate; zinc(II) chloride; In potassium hydroxide; sodium hydroxide; diethyl ether; dichloromethane; water; acetic anhydride; acetone;

upstream raw materials:

2-Hydroxy-4,5-methylenedioxy-6-methoxyphenyl-3,4,5-trimethoxybenzyl ketone

formic acid ethyl ester

(3,4,5-trimethoxyphenyl)methanol

2-(3,4,5-trimethoxyphenyl)acetonitrile

Refernces