Benzoic acid, 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-

Base Information

Chemical Name:Benzoic acid, 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-
CAS No.:876752-68-0
Molecular Formula:C21H14O5
Molecular Weight:346.339
Hs Code.:
DSSTox Substance ID:DTXSID20467792
Nikkaji Number:J2.403.951J
Wikidata:Q82294863

Synonyms:Benzoic acid, 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-;876752-68-0;SCHEMBL14932585;DTXSID20467792

Suppliers and Price of Benzoic acid, 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Benzoic acid, 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:346.08412354
Heavy Atom Count:26
Complexity:716

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Technology Process of Benzoic acid, 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-

There total 6 articles about Benzoic acid, 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl- 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: 99.0%

: 879288-19-4
4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid methyl ester

: 876752-68-0
4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid

Guidance literature:: With lithium hydroxide; In methanol; water; for 1h;
DOI:10.1021/ol052655g

Reference yield:

: 121714-18-9
3,6-bis(tert-butyldimethylsilyloxy)-9H-xanthen-9-one

: 876752-68-0
4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: t-BuLi / tetrahydrofuran / 1 h / -100 °C

1.2: 85 percent / aq. HCl / tetrahydrofuran / 0.17 h

2.1: 94 percent / TFA / CH₂Cl₂ / 1 h / 20 °C

With tert.-butyl lithium; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/ol0623926

Reference yield:

: 7697-28-1
4-bromo-3-methylbenzoic acid

: 876752-68-0
4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: 63 percent / DMAP; Boc₂O / 40 °C

2.1: t-BuLi / tetrahydrofuran / 1 h / -100 °C

2.2: 85 percent / aq. HCl / tetrahydrofuran / 0.17 h

3.1: 94 percent / TFA / CH₂Cl₂ / 1 h / 20 °C

With dmap; di-tert-butyl dicarbonate; tert.-butyl lithium; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/ol0623926