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

Modify Date: 2026-07-14 17:53:45

4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester Structure
4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester structure
Common Name 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester
CAS Number 6345-73-9 Molecular Weight 324.32700
Density 1.277g/cm3 Boiling Point 482.4ºC at 760 mmHg
Molecular Formula C19H16O5 Melting Point N/A
MSDS N/A Flash Point 265.7ºC

 Names

Name ethyl 4-oxo-7-phenylmethoxychromene-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.277g/cm3
Boiling Point 482.4ºC at 760 mmHg
Molecular Formula C19H16O5
Molecular Weight 324.32700
Flash Point 265.7ºC
Exact Mass 324.10000
PSA 65.74000
LogP 3.54870
Index of Refraction 1.596
InChIKey PSQHTAURXSIPJF-UHFFFAOYSA-N
SMILES CCOC(=O)c1cc(=O)c2ccc(OCc3ccccc3)cc2o1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2503160
CHEMICAL NAME :
4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester
CAS REGISTRY NUMBER :
6345-73-9
BEILSTEIN REFERENCE NO. :
0306136
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H16-O5
MOLECULAR WEIGHT :
324.35

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 15,865,1972

 Synthetic Route

~%

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

4H-1-Benzopyran...

CAS#:6345-73-9

Learn More
Literature: Jacobson et al. Journal of Organic Chemistry, 1953 , vol. 18, p. 1117,1121

~%

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

4H-1-Benzopyran...

CAS#:6345-73-9

Learn More
Literature: Jacobson et al. Journal of Organic Chemistry, 1953 , vol. 18, p. 1117,1121

~%

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

4H-1-Benzopyran...

CAS#:6345-73-9

Learn More
Literature: Naylor et al. Journal of the Chemical Society, 1958 , p. 1190,1192

 Bioassay

View more

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

7-(benzyloxy)-4-methyl-2H-chromen-2-one
7-Benzyloxy-4-methyl-chromen-2-one
7-Benzyloxy-4-oxo-4H-chromen-2-carbonsaeure-aethylester
7-Benzyloxy-4-methyl-cumarin
7-benzyloxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
7-benzyloxy-4-methyl-coumarin
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