Benzoic acid, 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-

Base Information

• Chemical Name: Benzoic acid, 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-
• CAS No.: 879288-14-9
• Molecular Formula: C21H12F2O5
• Molecular Weight: 382.32

Synonyms:4-(2,7-difluoro-6-hydroxy-3-oxo-xanthen-9-yl)-3-methyl-benzoic acid;4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid;4-(2,7-Difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-benzoic acid;4-?(2,?7-?Difluoro-?6-?hydroxy-?3-?oxo-?3H-?xanthen-?9-?yl)?-?3-?methylbenzoic acid;

Chemical Property of Benzoic acid, 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-

Chemical Property:

• PSA: 87.74000
• LogP: 4.55520

Purity/Quality:

98%,99%, ^*data from raw suppliers

info@axmolecules.comkarenqc@axmolecules.com760-300-9847(ph)760-657-2566(fax)http://www.axmolecules.com 98% ^*data from reagent suppliers

Safty Information:

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• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-

There total 13 articles about Benzoic acid, 4-(2,7-difluoro-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%

4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid methyl ester (879288-18-3) → 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid (879288-14-9)

Guidance literature:

With lithium hydroxide; In methanol; water; for 1h;

DOI:10.1021/ol052655g

Reference yield:

1,2,4-trifluoro-5-nitrobenzene (2105-61-5) → 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid (879288-14-9)

Guidance literature:

Multi-step reaction with 9 steps

1.1: 92 percent / methanol

2.1: 91 percent / H₂ / Pd/C / ethanol

3.1: 68 percent / HCl; NaNO₂; NaI / H₂O / 16 h / 0 - 22 °C

4.1: 96 percent / acetonitrile / 0.01 h / microwave irradiation

5.1: 72 percent / BBr₃ / CH₂Cl₂ / 40 °C

6.1: 82 percent / 220 °C

7.1: 65 percent / NaH / dimethylformamide

8.1: iPrMgCl / tetrahydrofuran / 2 h / -20 °C

8.2: tetrahydrofuran / 16 h / -20 - 22 °C

8.3: 72 percent / TFA / CH₂Cl₂ / 2 h / 22 °C

9.1: 99 percent / LiOH / methanol; H₂O / 1 h

With hydrogenchloride; lithium hydroxide; hydrogen; isopropylmagnesium chloride; boron tribromide; sodium hydride; sodium iodide; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile; 3.1: Sandmeyer reaction;

DOI:10.1021/ol052655g

Reference yield:

1-Fluoro-2,4-dimethoxy-5-nitro-benzene (195136-62-0) → 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid (879288-14-9)

Guidance literature:

Multi-step reaction with 8 steps

1.1: 91 percent / H₂ / Pd/C / ethanol

2.1: 68 percent / HCl; NaNO₂; NaI / H₂O / 16 h / 0 - 22 °C

3.1: 96 percent / acetonitrile / 0.01 h / microwave irradiation

4.1: 72 percent / BBr₃ / CH₂Cl₂ / 40 °C

5.1: 82 percent / 220 °C

6.1: 65 percent / NaH / dimethylformamide

7.1: iPrMgCl / tetrahydrofuran / 2 h / -20 °C

7.2: tetrahydrofuran / 16 h / -20 - 22 °C

7.3: 72 percent / TFA / CH₂Cl₂ / 2 h / 22 °C

8.1: 99 percent / LiOH / methanol; H₂O / 1 h

With hydrogenchloride; lithium hydroxide; hydrogen; isopropylmagnesium chloride; boron tribromide; sodium hydride; sodium iodide; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile; 2.1: Sandmeyer reaction;

DOI:10.1021/ol052655g

upstream raw materials:

4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid methyl ester

methyl 4-formyl-3-methylbenzoate

methyl 4-[bis(5-fluoro-2,4-dihydroxyphenyl)methyl]-3-methylbenzoate

methyl 4-iodo-3-methylbenzoate

Downstream raw materials:

1-{[4-(2,7-difluoro-6-hydroxy-3-oxo-xanthen-9-yl)-3-methylbenzoyl]oxy}pyrrolidine-2,5-dione

N-[4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoyl]-β-alanyl-N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-β-alaninamide

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