2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone

Base Information

• Chemical Name: 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone
• CAS No.: 15485-76-4
• Molecular Formula: C19H16 O7
• Molecular Weight: 356.332
• Hs Code.: 2918990090
• European Community (EC) Number: 239-511-0
• NSC Number: 88178
• UNII: FY6PW480IY
• DSSTox Substance ID: DTXSID10165750
• Nikkaji Number: J317.935D
• Wikidata: Q83034985
• ChEMBL ID: CHEMBL31207
• Mol file: 15485-76-4.mol

Synonyms:15485-76-4;2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone;NSC-88178;ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate;NSC88178;FY6PW480IY;Ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate;CHEMBL31207;2-Carbethoxy-5,7-dihydroxy-4/'-methoxyisoflavone;EINECS 239-511-0;NSC 88178;Ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-2-carboxylate;4H-1-Benzopyran-2-carboxylic acid, 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-, ethyl ester;Ethoxybiochanin A;UNII-FY6PW480IY;Oprea1_747546;SCHEMBL978538;DTXSID10165750;WIXLQXLEPYJDRJ-UHFFFAOYSA-N;BDBM50227455;STK888292;AKOS001061565;UPCMLD0ENAT0511-1293:001;FT-0637233;2-carbethoxy5,7-dihydroxy-4'-methoxyisoflavone;2-carboethoxy-5,7-dihydroxy-4'-methoxy isoflavone;J-009151;Z56858918;F1190-0488;2-(ETHOXYCARBONYL)-5,7-DIHYDROXY-4'-METHOXYISOFLAVONE;ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-chromene-2-carboxylate;4H-1-Benzopyran-2-carboxylic acid, 5, 7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-, ethyl ester;4H-1-Benzopyran-2-carboxylic acid,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-, ethyl ester;4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 5,7-DIHYDROXY-3-(P-METHOXYPHENYL)-4-OXO-, ETHYL ESTER

Chemical Property of 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone

Chemical Property:

• Melting Point: 190-193 °C(lit.)
• Boiling Point: 569.4°Cat760mmHg
• Flash Point: 206.7°C
• PSA: 106.20000
• Density: 1.412g/cm³
• LogP: 3.05650
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 356.08960285
• Heavy Atom Count: 26
• Complexity: 576

Purity/Quality:

99% ^*data from raw suppliers

2-CARBETHOXY-5,7-DIHYDROXY-4'-METHOXYISOFLAVONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)OC

Technology Process of 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone

There total 3 articles about 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone 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:

2,4,6-trihydroxy-4'-methoxydeoxybenzoin (15485-66-2) + Ethyl oxalyl chloride (4755-77-5) → ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate (15485-76-4)

Guidance literature:

With pyridine;

Reference yield:

3,5-dihydroxyphenol (108-73-6) → ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate (15485-76-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnCl₂; HCl / diethyl ether

2: pyridine / 0 - 20 °C

With pyridine; hydrogenchloride; zinc(II) chloride; In diethyl ether; 1: Houben-Hoesch reaction;

DOI:10.1023/A:1025422502712

Reference yield:

p-methoxybenzylnitrile (104-47-2) → ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate (15485-76-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnCl₂; HCl / diethyl ether

2: pyridine / 0 - 20 °C

With pyridine; hydrogenchloride; zinc(II) chloride; In diethyl ether; 1: Houben-Hoesch reaction;

DOI:10.1023/A:1025422502712

upstream raw materials:

2,4,6-trihydroxy-4'-methoxydeoxybenzoin

Ethyl oxalyl chloride

3,5-dihydroxyphenol

p-methoxybenzylnitrile

Downstream raw materials:

2-carboethoxy-5-hydroxy-3-(4-methoxyphenyl)-7-(4-(quinolin-2-ylmethoxy)benzyloxy)-4-oxo-4H-1-benzopyran

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