Pectolinarigenin

Base Information

• Chemical Name: Pectolinarigenin
• CAS No.: 520-12-7
• Molecular Formula: C17H14 O6
• Molecular Weight: 314.295
• Hs Code.: 2914509090
• European Community (EC) Number: 208-286-0
• NSC Number: 106403
• UNII: 4U3UZ1K35N
• DSSTox Substance ID: DTXSID20199960
• Nikkaji Number: J6.599D
• Wikipedia: Pectolinarigenin
• Wikidata: Q15425293
• Metabolomics Workbench ID: 24247
• ChEMBL ID: CHEMBL78010
• Mol file: 520-12-7.mol

Synonyms:pectolinarigenin

Chemical Property of Pectolinarigenin

Chemical Property:

• Vapor Pressure: 2.15E-13mmHg at 25°C
• Melting Point: 220-223°
• Boiling Point: 565.5°Cat760mmHg
• PKA: 6.49±0.40(Predicted)
• Flash Point: 212.3°C
• PSA: 89.13000
• Density: 1.402g/cm³
• LogP: 2.88840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 314.07903816
• Heavy Atom Count: 23
• Complexity: 468

Purity/Quality:

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

Pectolinarigenin 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O
• Uses: Scutellarein-6,4''-dimethyl ether (CAS# 520-12-7) is a flavonoid isolated from South African weed Chromolaena odorata (Asteraceae) having pharmacological activity against uropathogens.

Technology Process of Pectolinarigenin

There total 22 articles about Pectolinarigenin 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: 90.0%

methyl 3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylate (70938-59-9) → pectolinarigenin (520-12-7)

Guidance literature:

With sulfuric acid; In ethanol; water; at 110 ℃; for 10h; Inert atmosphere;

DOI:10.1016/j.tet.2020.130950

Reference yield: 83.0%

pectolinarin (28978-02-1,134-33-8) → pectolinarigenin (520-12-7)

Guidance literature:

With hydrogenchloride; water; In methanol; Reflux;

DOI:10.1016/j.bmcl.2008.09.037

Reference yield: 38.0%

hispidulin (1447-88-7) + methyl iodide (74-88-4) → salvigenin (6601-62-3) + pectolinarigenin (520-12-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.10.039

upstream raw materials:

7-benzyloxy-5,6-dimethoxy-2-(4-methoxy-phenyl)-chromen-4-one

1-(2,4-dihydroxy-3,6-dimethoxy)phenylethanone

p-Methoxybenzoic anhydride

scutellarein

Downstream raw materials:

7-carboxymethyloxy-5-hydroxy-4',6-dimethoxy flavone

C₂₁H₂₃NO₆

C₂₃H₂₇NO₆

C₂₂H₂₅NO₆

Refernces

• 1、 Kuptsova,Ban'kovskii. "-". . . Retrieved 1970.
• 2、 Smirnova et al.. "-". . . Retrieved 1974.
• 3、 Shi, Zhi-Hao,Li, Nian-Guang,Wang, Zhen-Jiang,Tang, Yu-Ping,Dong, Ze-Xi,Zhang, Wei,Zhang, Peng-Xuan,Gu, Ting,Wu, Wen-Yu,Yang, Jian-Ping,Duan, Jin-Ao. "Synthesis and biological evaluation of methylated scutellarein analogs based on metabolic mechanism of scutellarin in vivo". . p. 95 - 105. Retrieved 2015/11/10.
• 4、 -. "Gastroprotective flavone/flavanone compounds with therapeutic effect on inflammatory bowel disease". . . Retrieved 2008/06/13.