Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester
CAS No.:137988-05-7
Molecular Formula:C17H12O6
Molecular Weight:312.2736
Hs Code.:
DSSTox Substance ID:DTXSID00160431
Wikidata:Q83028796
Mol file:137988-05-7.mol

Synonyms:137988-05-7;BRN 5448677;Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester;methyl 4-[(7-hydroxy-4-oxo-4H-chromen-3-yl)oxy]benzoate;methyl 4-(7-hydroxy-4-oxochromen-3-yl)oxybenzoate;Methyl 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)benzoate;methyl 4-((7-hydroxy-4-oxo-4H-chromen-3-yl)oxy)benzoate;Oprea1_737769;IFLab1_003182;SCHEMBL18529496;DTXSID00160431;HMS1421A14;BBL034780;MFCD00596510;STK888267;AKOS000276167;LS-37654;VS-12671;CS-0301916;EU-0006036;AB00685112-01;SR-01000443645;SR-01000443645-1;Z56767880;F0738-0036

Suppliers and Price of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4-(7-HYDROXY-4-OXO-4H-CHROMEN-3-YLOXY)-BENZOIC ACID METHYL ESTER 95.00%
5MG
$ 504.34

Total 2 raw suppliers

Chemical Property of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester

Chemical Property:

Vapor Pressure:1.85E-10mmHg at 25°C
Boiling Point:495.9°Cat760mmHg
PKA:6.68±0.20(Predicted)
Flash Point:184.8°C
PSA：85.97000
Density:1.413g/cm³
LogP:3.07750
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:312.06338810
Heavy Atom Count:23
Complexity:491

Purity/Quality:

99% ^*data from raw suppliers

4-(7-HYDROXY-4-OXO-4H-CHROMEN-3-YLOXY)-BENZOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O

Technology Process of Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester

There total 3 articles about Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl 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: 88.4%

: 137987-92-9
methyl 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)benzoate

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 137988-05-7
methyl-4[(7-hydroxy-4-oxo-4H-chromen-3-yl)oxy]benzoate

Guidance literature:: With boron trifluoride diethyl etherate; phosphorus trichloride; at 50 - 60 ℃;
DOI:10.1007/BF00767267

Reference yield:

: 137988-24-0
methyl 4-(cyanomethoxy)benzoate

: 137988-05-7
methyl-4[(7-hydroxy-4-oxo-4H-chromen-3-yl)oxy]benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) HCl, 2.) zinc chloride, HCl, 3.) water

2: 88.4 percent / boron trifluoride etherate, phosphorus trichloride / 50 - 60 °C

With hydrogenchloride; boron trifluoride diethyl etherate; water; zinc(II) chloride; phosphorus trichloride;
DOI:10.1007/BF00767267

Reference yield:

: 108-46-3
recorcinol

: 137988-05-7
methyl-4[(7-hydroxy-4-oxo-4H-chromen-3-yl)oxy]benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) HCl, 2.) zinc chloride, HCl, 3.) water

2: 88.4 percent / boron trifluoride etherate, phosphorus trichloride / 50 - 60 °C

With hydrogenchloride; boron trifluoride diethyl etherate; water; zinc(II) chloride; phosphorus trichloride;
DOI:10.1007/BF00767267