Structure of 652-34-6
*Storage: {[sel_prStorage]}
*Shipping: {[sel_prShipping]}
The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
4.5
*For Research Use Only !
Change View
| Size | Price | VIP Price |
DE Stock US Stock |
Asia Stock Global Stock |
In Stock |
| {[ item.pr_size ]} |
Inquiry
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.discount_usd) ]} {[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} |
Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]} | {[ item.p_spot_brand_remark ]} 1-2 weeks {[ item.pr_usastock ]} In Stock Inquiry - | {[ item.p_spot_brand_remark ]} 1-2 weeks {[ item.pr_chinastock ]} {[ item.pr_remark ]} In Stock Inquiry - | Login - + |
Please Login or Create an Account to: See VIP prices and availability
Asia Stock: Ship in 3-5 business days
EU Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
{[ item.p_spot_brand_remark ]}
1-2weeks
Inquiry
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ item.p_spot_brand_remark ]}
1-2weeks
Inquiry
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
In Stock
- +
Please Login or Create an Account to: See VIP prices and availability
Asia Stock: Ship in 3-5 business days
EU Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
| CAS No. : | 652-34-6 |
| Formula : | C7H2F4O3 |
| M.W : | 210.08 |
| SMILES Code : | O=C(O)C1=C(F)C(F)=C(O)C(F)=C1F |
| MDL No. : | MFCD00129952 |
| InChI Key : | FTLHGQOBAPTEHE-UHFFFAOYSA-N |
| Pubchem ID : | 98835 |
| GHS Pictogram: |
|
| Signal Word: | Warning |
| Hazard Statements: | H315-H319-H335 |
| Precautionary Statements: | P261-P305+P351+P338 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.


[ 652-34-6 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 51.2 g of polystyrene-aminomethyl resin (loading 1.36 mmol/g, 69.6 mmol; from Argonaut Technologies, USA) are suspended in 700 ml of DMF. 41.6 g (107.8 mmol) of HOBt and 24.1 g (114.8 mmol) of 4-hydroxy-2,3,5,6-tetrafluoro-benzoic acid are added. After 15 min, 16.9 ml (107.8 mmol) of N,N'-diisopropylcarbodiimide are added to the reaction mixture while stirring gently, and it is then stirred overnight. It is filtered, and the remaining resin is washed with DMF. The resulting resin is resuspended in 450 ml of DMF, mixed with 8.26 ml (83.5 mmol) of piperidine and shaken. After 2 h, filtration is repeated and the remaining resin is added to a solution of 120 ml of 1 M hydrochloric acid in 500 ml of DMF and shaken for a further 2 h. Renewed filtration is followed by washing with 500 ml each of DMF, THF and DCM. Drying in vacuo at 50 C. results in 77.2 g of the polymer-bound title compound. |
[ 553-26-4 ]
[ 5970-45-6 ]
[ 652-34-6 ]
[ 553-26-4 ]

[ 652-34-6 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 90% | With sulfuric acid; for 16h;Reflux; | To a solution of <strong>[652-34-6]2,3,5,6-tetrafluoro-4-hydroxybenzoic acid</strong> hydrate (5.2 g, 22.8 mmol) in methanol (400 ml) concentrated sulphuric acid (98%, 2 ml)was added. The solutionwas heated to reflux for 16 h. TLC was used to monitor the reaction. After the complete conversion, methanol was removed, and then water (100 ml) was added to the residual. Dichloromethane was used to extract the product from aqueous solution. The extract was dried over anhydrous magnesium sulphate, and the solvent was removed under reduced pressure to give white solid methyl 2,3,5,6-tetrafluoro-4-hydroxybenzoate (5.01 g, yield 90%). 1H NMR, CD3OD: 4.92(br s,1H, OH), 3.92 (s, 3H, COOCH3). 13C NMR, CD3OD: 162.7 (s, COO),148.70e138.12 (m, Ar CF), 53.16 (s, CH3). 19F NMR, CD3OD: -144.12 (m, 2F), -165.99 (m, 2F) To a solution of methyl 2,3,5,6-tetrafluoro-4-hydroxybenzoate (1.02 g, 4.55 mmol) in anhydrous THF (10 ml) was added a solution of thallium ethoxide (1.19 g, 4.78 mmol, 1.05 eq) in anhydrous THF (5 ml). The white solid was formed and the suspension was stirred for further 3 h. The white solid was collected, washed with anhydrous THF, dried under reduced pressure, to give product Tl-6 (1.82 g, yield 90%). 1H NMR, CD3OD: 3.92 (s, 3H, COOCH3). 13C NMR, CD3OD: 162.7 (s, COO), 148.70e138.12 (m, Ar CF), 53.16 (s, CH3). 19F NMR, CD3OD: -144.12 (m, 2F), -165.99 (m, 2F). |

[ 652-34-6 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 58% | Mono-trityl 1,6-diaminohexane acetic acid salt (9a) (117.2 mg, 0.28 mmol) was taken up in DCM and washed with sat. aq. NaHC03, dried over Na2S04 and concentrated in vacuo. The amine was dissolved in DMF and HOBt monohydrate (43 mg, 0.28 mmol, 1 equiv.), EDC (54 mg, 0.28 mmol, 1 equiv.) and 2,3,5,6- tetrafluoro-4-hydroxybenzoic acid (12) (59 mg, 0.28 mmol, 1 equiv.) were added and the reaction mixture was stirred overnight, before being concentrated in vacuo. The crude was purified by flash column chromatography (15% -> 30% ethyl acetate in hexane) to yield 90 mg (0.16 mmol, 58% isolated yield). | |
| 58% | Mono-trityl 1,6-diaminohexane acetic acid salt (9a) (117.2 mg, 0.28 mmol) was taken up in DCM and washed with sat. aq. NaHC03, dried over Na2S04 and concentrated in vacuo. The amine was dissolved in DMF and HOBt monohydrate (43 mg, 0.28 mmol, 1 equiv.), EDC (54 mg, 0.28 mmol, 1 equiv.) and 2,3,5,6- tetrafluoro-4-hydroxybenzoic acid (12) (59 mg, 0.28 mmol, 1 equiv.) were added and the reaction mixture was stirred overnight, before being concentrated in vacuo. The crude was purified by flash column chromatography (15% -> 30% ethyl acetate in hexane) to yield 90 mg (0.16 mmol, 58% isolated yield). |

[ 652-34-6 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 65% | Mono-trityl ethylenediamine acetic acid salt (9b) (100 mg, 0.28 mmol) was taken up in DCM and washed with sat. aq. NaHC03, dried over Na2S04 and concentrated in vacuo. The amine was dissolved in DMF and HOBt monohydrate (43 mg, 0.28 mmol, 1 equiv.), EDC (54 mg, 0.28 mmol, 1 equiv.) and 2,3,5,6- tetrafluoro-4-hydroxybenzoic acid (12) (59 mg, 0.28 mmol, 1 equiv.) were added and the reaction mixture was stirred overnight, before being concentrated in vacuo. The crude was purified by flash column chromatography (20% -> 35% ethyl acetate in hexane) to yield 90 mg (0.18 mmol, 65% isolated yield). 1H NMR (400 MHz, DMSO) δ = 8.77 (t, J=6.0, 1H), 7.39 (d, J=7.8, 6H), 7.27 (t, J=7.7, 6H), 7.17 (t, J=7.2, 3H), 3.40 - 3.35 (m, 2H), 2.86 - 2.77 (m, 1H), 2.14 - 2.04 (m, 2H). | |
| 65% | Mono-trityl ethylenediamme acetic acid salt (9b) (100 mg, 0.28 mmol) was taken up in DCM and washed with sat. aq. NaHC03, dried over Na2S04 and (0224) concentrated in vacuo. The amine was dissolved in DMF and HOBt monohydrate (43 mg, 0.28 mmol, 1 equiv.), EDC (54 mg, 0.28 mmol, 1 equiv.) and 2,3,5,6- tetrafluoro-4-hydroxybenzoic acid (12) (59 mg, 0.28 mmol, 1 equiv.) were added and the reaction mixture was stirred overnight, before being concentrated in vacuo. The crude was purified by flash column chromatography (20% -> 35% ethyl acetate in hexane) to yield 90 mg (0.18 mmol, 65% isolated yield). lH NMR (400 MHz, DMSO) δ = 8.77 (t, 7=6.0, 1H), 7.39 (d, 7=7.8, 6H), 7.27 (t, 7=7.7, 6H), 7.17 (t, 7=7.2, 3H), 3.40 - 3.35 (m, 2H), 2.86 - 2.77 (m, 1H), 2.14 - 2.04 (m, 2H). |
[ 652-34-6 ]

[ 652-34-6 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With caesium carbonate; In N,N-dimethyl-formamide; at 20℃; for 24h;Cooling with ice; | Cesium carbonate excess of the catalyst base (56.14g, 172.3mmol) and methyl 2, 3-difluoro-4-hydroxybenzoic acid (15g, 86.2mmol) for N, paste has better mouth feeling and agitating N-dimethylformamide was dissolved. Then the first bath freezing (ice bath) using benzyl bromide (10.3 ml, 86.2mmol) a blended 24 houses an mix solution which is then reacted time at room temperature. Excess distilled water of agent is placed a request of the reaction, until is pH2 to the precipitation the dripped into HCl. To filter out precipitate a solid product in the form of a powder (yield: 74.6%)of title compound are obtained. |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 2.31 parts of the salt represented by formula (I-1-a) and 20 parts of acetonitrile are mixed,The mixture was stirred at 23 C for 30 minutes.1.80 parts of carbonyldiimidazole was added to the obtained mixed solution,The mixture was stirred at 60 C for 2 hours.2.17 parts of the compound represented by the formula (I-27-b) was added to the obtained reaction solution, and the mixture was stirred at 60 C. for 2 hours and then cooled to 23 C. Chloroform (40 parts) and ion-exchanged water (20 parts) were added to the obtained reaction mixture, and the mixture was stirred at 23 C. for 30 minutes, then, separated, and the organic layer was taken out. 20 parts of ion-exchanged water was added to the obtained organic layer, the mixture was stirred at 23 C. for 30 minutes, and then liquid-separated to take out the organic layer. This water washing operation was repeated 5 times. The obtained organic layer was concentrated, and the concentrated mixture was applied to a column (silica gel 60N (spherical, neutral) 100-210 μm; manufactured by Kanto Chemical Co., Inc., developing solvent: n-heptane / ethyl acetate = 1/1). By fractionating, 2.18 parts of a compound represented by the formula (I-27-c) was obtained. |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 2.31 parts of the compound represented by the formula (I-1-a), 10 parts of dimethylformamide and carbonic acidAfter mixing 0.80 parts of potassium and stirring at 23 C for 30 minutes, the mixture was further stirred at 80 C for 1 hour.I stirred. The obtained mixed solution was added with 2.93 parts of a compound represented by the formula (I-211-b) and a yolk.Add 0.05 parts of potassium iodide,After stirring at 80 C for 6 hours, the mixture was cooled to 23 C.20 parts of chloroform and 10 parts of ion-exchanged water were added to the obtained reaction mixture, and the mixture was heated at 23 C. for 30 minutes.After stirring for a while, the layers were separated and the organic layer was taken out. To the obtained organic layer, 10 parts of ion-exchanged water was added, and the mixture was stirred at 23 C. for 30 minutes, then liquid-separated, and the organic layer was taken out. This water washing operation was repeated 3 times. The obtained organic layer was concentrated, and the concentrated mixture was subjected to a column (silica gel 60N (spherical, neutral) 100-210 μm; manufactured by Kanto Chemical Co., Inc., developing solvent: n-heptane / ethyl acetate = 1/1). By collecting3.92 parts of the compound represented by the formula (I-211-c) was obtained. |

A392052 [143201-17-6]
2,3,5,6-Tetrafluoro-4-hydroxybenzoic acid hydrate
Similarity: 1.00

A294071 [156839-10-0]
2,3,5-Trifluoro-4-hydroxybenzoic acid
Similarity: 1.00

A621070 [1806421-72-6]
4-Hydroxy-2,3,6-trifluorobenzoic acid
Similarity: 1.00

A286379 [116751-24-7]
3-Hydroxy-2,4,5-trifluorobenzoic acid
Similarity: 0.98

A218729 [38233-44-2]
2,3,4-Trifluoro-5-hydroxybenzoic acid
Similarity: 0.98

A392052 [143201-17-6]
2,3,5,6-Tetrafluoro-4-hydroxybenzoic acid hydrate
Similarity: 1.00

A294071 [156839-10-0]
2,3,5-Trifluoro-4-hydroxybenzoic acid
Similarity: 1.00

A621070 [1806421-72-6]
4-Hydroxy-2,3,6-trifluorobenzoic acid
Similarity: 1.00

A286379 [116751-24-7]
3-Hydroxy-2,4,5-trifluorobenzoic acid
Similarity: 0.98

A218729 [38233-44-2]
2,3,4-Trifluoro-5-hydroxybenzoic acid
Similarity: 0.98

A392052 [143201-17-6]
2,3,5,6-Tetrafluoro-4-hydroxybenzoic acid hydrate
Similarity: 1.00

A294071 [156839-10-0]
2,3,5-Trifluoro-4-hydroxybenzoic acid
Similarity: 1.00

A621070 [1806421-72-6]
4-Hydroxy-2,3,6-trifluorobenzoic acid
Similarity: 1.00

A286379 [116751-24-7]
3-Hydroxy-2,4,5-trifluorobenzoic acid
Similarity: 0.98

A218729 [38233-44-2]
2,3,4-Trifluoro-5-hydroxybenzoic acid
Similarity: 0.98