2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methyl-benzoic acid phenyl ester
- Product Name
- 2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methyl-benzoic acid phenyl ester
- CAS No.
- 1253799-29-9
- Chemical Name
- 2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methyl-benzoic acid phenyl ester
- Synonyms
- EOS-61973;TP-353, 10 mM in DMSO;Eravacycline intermediate D;2-(Benzyloxy)-3-(benzylamino)-5-fluorine-6-Methylbenzoic acid;2- (benzyloxy) -3- (benzylamino) -5-fluoro-6-methylbenzoic acid;2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methyl-benzoic acid phenyl ester;phenyl 2-(benzyloxy)-3-(dibenzylamino)-5-fluoro-6-methylbenzoate TP-353;3-[Bis(phenylmethyl)amino]-5-fluoro-6-methyl-2-(phenylmethoxy)benzoic acid phenyl ester;Benzoic acid, 3-[bis(phenylmethyl)amino]-5-fluoro-6-methyl-2-(phenylmethoxy)-, phenyl ester
- CBNumber
- CB72682632
- Molecular Formula
- C35H30FNO3
- Formula Weight
- 531.62
- MOL File
- 1253799-29-9.mol
2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methyl-benzoic acid phenyl ester Property
- Boiling point:
- 695.5±55.0 °C(Predicted)
- Density
- 1?+-.0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.69±0.50(Predicted)
- InChIKey
- VRXGVVAMXZXKNA-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=CC=C1)(=O)C1=C(C)C(F)=CC(N(CC2=CC=CC=C2)CC2=CC=CC=C2)=C1OCC1=CC=CC=C1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H312Harmful in contact with skin
H332Harmful if inhaled
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P322Specific measures (see …on this label).
P330Rinse mouth.
P363Wash contaminated clothing before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- P399543
- Product name
- Phenyl2-(Benzyloxy)-3-(dibenzylamino)-5-fluoro-6-methylbenzoate
- Packaging
- 5mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 2930DV
- Product name
- Phenyl2-(benzyloxy)-3-(dibenzylamino)-5-fluoro-6-methylbenzoate
- Packaging
- 100mg
- Price
- $347
- Updated
- 2021/12/16
- Product number
- HCH0418622
- Product name
- PHENYL 2-(BENZYLOXY)-3-(DIBENZYLAMINO)-5-FLUORO-6-METHYLBENZOATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $496.31
- Updated
- 2021/12/16
- Product number
- CM248497
- Product name
- Phenyl2-(benzyloxy)-3-(dibenzylamino)-5-fluoro-6-methylbenzoate
- Purity
- 95+%
- Packaging
- 1g
- Price
- $262
- Updated
- 2021/12/16
- Product number
- CD12168884
- Product name
- Phenyl2-(benzyloxy)-3-(dibenzylamino)-5-fluoro-6-methylbenzoate
- Purity
- 97%
- Packaging
- 1g
- Price
- $277
- Updated
- 2021/12/16
2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methyl-benzoic acid phenyl ester Chemical Properties,Usage,Production
Uses
Phenyl 2-(benzyloxy)-3-(dibenzylamino)-5-fluoro-6-methylbenzoate (CAS# 1253799-29-9) is most frequently used as a building block in the synthesis of tetracycline antibiotics.
Synthesis
1207284-89-6
100-39-0
1253799-29-9
To a solution of 500 g of the compound (CAS:1207284-89-6) in 4.25 L of N-methylpyrrolidone was added N,N-diisopropylethylamine (620 mL), followed by benzyl bromide (425 mL, 2.5 equiv). The reaction mixture was heated at 100 °C for 18 h, after which it was cooled to 80 °C and treated with 25% w/w aqueous triethylamine solution for 10 min. The mixture was stirred at room temperature for 25 minutes and subsequently cooled to 15 °C and water (10 L) was added to precipitate the product. After 3 h of precipitation, the resulting light-colored suspension was filtered and washed with 2 L of water and subsequently dried. The crude product (750 g) was dissolved in 4.1 L of toluene and filtered through silica gel to give 762 g of yellow solid. This solid was recrystallized by acetone/heptane to give a final 606 g of the target compound 2-(benzyloxy)-3-(benzylamino)-5-fluoro-6-methylbenzoic acid (80% yield) as a white solid. Its 1H NMR (400 MHz, CDCl3) data were as follows: δ 7.48-7.03 (m, 20H), 6.60 (d, J=11.5 Hz, 1H), 5.31 (s, 2H), 4.33 (s, 4H), 2.30 (s, 3H).
References
[1] Patent: WO2010/126607, 2010, A2. Location in patent: Page/Page column 172/251
2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methyl-benzoic acid phenyl ester Preparation Products And Raw materials
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