4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester

Base Information

• Chemical Name: 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester
• CAS No.: 6345-73-9
• Molecular Formula: C19H16O5
• Molecular Weight: 324.333
• NSC Number: 43584
• DSSTox Substance ID: DTXSID90212872
• Wikidata: Q83088091
• ChEMBL ID: CHEMBL1906014

Synonyms:6345-73-9;ethyl 7-(benzyloxy)-4-oxo-4h-chromene-2-carboxylate;4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester;ethyl 4-oxo-7-phenylmethoxychromene-2-carboxylate;64090-81-9;BRN 0306136;NSC43584;Ethyl 4-oxo-7-(phenylmethoxy)-4H-1-benzopyran-2-carboxylate;Maybridge4_003233;Oprea1_298149;MLS001182226;CHEMBL1906014;DTXSID90212872;HMS1530C21;HMS2861K14;NSC 43584;NSC-43584;NCGC00176064-01;SMR000567873;BRD-K52862547-001-01-3;BRD-K52862547-001-06-2

Chemical Property of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester

Chemical Property:

• Vapor Pressure: 1.83E-09mmHg at 25°C
• Boiling Point: 482.4°Cat760mmHg
• Flash Point: 265.7°C
• Density: 1.277g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 324.09977361
• Heavy Atom Count: 24
• Complexity: 492

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3

Technology Process of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester

There total 4 articles about 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester 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:

4-(4-benzyloxy-2-hydroxy-phenyl)-2,4-dioxo-butyric acid ethyl ester (860189-36-2) → 7-benzyloxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester (6345-73-9)

Guidance literature:

With hydrogenchloride; acetic acid;

DOI:10.1021/jo50015a008

Reference yield:

1-[4-(benzyloxy)-2-hydroxyphenyl]ethanone (29682-12-0) → 7-benzyloxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester (6345-73-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethylate

2: acetic acid; concentrated aqueous hydrochloric acid

With hydrogenchloride; sodium ethanolate; acetic acid;

DOI:10.1021/jo50015a008

Reference yield:

ethanol (64-17-5) + 4-(4-benzyloxy-2-hydroxy-phenyl)-2,4-dioxo-butyric acid ethyl ester (860189-36-2) → 7-benzyloxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester (6345-73-9)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

ethanol

4-(4-benzyloxy-2-hydroxy-phenyl)-2,4-dioxo-butyric acid ethyl ester

1-[4-(benzyloxy)-2-hydroxyphenyl]ethanone

Downstream raw materials:

1-(7-hydroxy-chroman-6-yl)-ethanone-(2,4-dinitro-phenylhydrazone)

2,3-Dihydro-7-hydroxy-4H-1-benzopyran

7-hydroxy-2,3-dihydro-4H-chromen-4-one

7-hydroxy-4H-chromen-4-one

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