Structure of 351335-29-0
*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 | US 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) ]} | Inquiry {[ item.pr_usastock ]} In Stock Inquiry - | {[ item.pr_chinastock ]} {[ item.pr_remark ]} In Stock 1-2 weeks - Inquiry - | Login | - + | Inquiry |
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
1-2weeks
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) ]}
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
US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks
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. : | 351335-29-0 |
Formula : | C16H14O4 |
M.W : | 270.28 |
SMILES Code : | O=C(OC)C1=CC=C(COC2=CC=CC=C2C=O)C=C1 |
MDL No. : | MFCD01893190 |
InChI Key : | USZUSRQZXDALNJ-UHFFFAOYSA-N |
Pubchem ID : | 3455850 |
GHS Pictogram: |
![]() |
Signal Word: | Danger |
Hazard Statements: | H318 |
Precautionary Statements: | P280-P305+P351+P338+P310 |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
100% | With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: A microwave vial was charged with bromomethylbenzene derivative (0.4 mmol, 1 equiv), appropriated phenol derivative (0.44 mmol, 1.1 equiv), K2C03 (0.8 mmol, 2equiv), few crystals of Nal and dimethylformamide (DMF) (1 .4 mL). The reaction mixture was heatedunder microwave irradiation at 80C for 10 minutes. Then, resulted mixture was poured into water and extracted with ethyl acetate. Combined organic phases were washed with brine, dried over Mg504 and concentrated under vacuum. The residue was purified by column chromatography on silica gel (CH2CI2/MeOH) |
60% | With potassium carbonate; potassium iodide; In ethyl acetate; at 70℃; for 5.0h; | A suspension of 5, 15 or 28 (6.55mmol) and the corresponding benzaldehydes (6.55mmol) including potassium carbonate (13.10mmol), and potassium iodide (7.86mmol) was heated at 70C for 5h. The solvent was evaporated, the residue was dissolved in ethyl acetate (50mL), washed with saturated aqueous NaHCO3 solution (2×20mL), water (2×20mL), and brine (2×10mL), dried over Na2SO4, and concentrated under reduced pressure. The crude product was purified by flash column chromatography using ethyl acetate/ petroleum ether as an eluent. 4.2.5 Methyl 4-((2-formylphenoxy)methyl)benzoate (6) (white powder, yield 60%) 1H NMR (300MHz, CDCl3): delta 10.57 (s, 1H), 8.07 (d, J=8.43Hz, 2H), 7.86 (d, J=7.50Hz, 1H), 7.53 (d, J=8.43Hz, 2H), 7.76 (t, J=7.50Hz, 1H), 7.06 (t, J=7.50Hz, 1H), 7.01 (d, J=8.44Hz, 1H), 5.25 (s, 2H), 3.92 (s, 3H) ppm. 13C NMR (75.49MHz, CDCl3): delta 189.48, 166.68, 160.64, 141.18, 135.94, 130.03, 128.73, 126.85, 125.19, 121.31, 112.90, 69.76, 52.20ppm. MS (ESI, SQ), m/z (%):293.1 [M+Na]+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
56% | With sodium tris(acetoxy)borohydride; In dichloromethane; at 20℃; for 16.0h; | (Methyl 4-((2-((4-(2-(2-((3r,5r,7r)-adamantan-l-yl)acetamido)acetyl)piperazin- l-yl)methyl)phenoxy)methyl)benzoate). A mixture of benzyl 4-(2-(2-((3r,5r,7r)-adamantan-l- yl)acetamido)acetyl)piperazine-l- carboxylate (729 mg, 1.61 mmol) and 10% palladium on carbon (146 mg) in MeOH (10 mL) was stirred for 18 h under hydrogen atmosphere (1 atm). After the palladium catalyst was filtered on celite, the filtrate was concentrated to give crude (l-(adamantan-l-yl)acetamido)acetyl)piperazine (400 mg) as a colorless viscous oil. To a solution of the crude material in CH2C12 (20 mL), 2-(4- methoxycarbonyl)benzyloxybenzaldehyde (406 mg, 1.50 mmol) and sodium triacetoxyborohydride (397 mg, 1.88 mmol) were added. After stirring for 16 h at RT, the mixture was poured into water and extracted with EtOAc. The combined extracts were washed with saturated brine, dried over sodium sulfate, filtered, and concentrated. The residue was purified by flash column chromatography eluting with CH2Cl2:MeOH (95:5) to give (methyl 4-((2-((4-(2-(2-((3r,5r,7r)-adamantan- 1 -yl)acetamido)acetyl)piperazin- 1 - yl)methyl)phenoxy)methyl)benzoate) (517 mg, 56 % yield for 2 steps) as a pale yellow oil. ESI-MS [M+l]=574.1; 1H NMR (600 MHz, CDCb) delta 8.06 (d, 2H, J=8.4), 7.51 (d, 2H, J=7.8), 7.34 (d, IH, J=7.8), 7.24 (t, IH, J=7.8), 6.97 (t, IH, J=7.8), 6.90 (d, IH, J=8.4), 6.48 (br s, IH), 5.15 (s, 2H), 4.03 (d, 2H, J=4.2), 3.93 (s, 3H), 3.65(br s, 4H), 3.40 (t, 2H, J=4.8), 2.50 (br s, 4H), 2.01 (s, 2H), 1.98 (br s, 3H), 1.70-1.62 (m, 12H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
General procedure: [0186] To 5-((4-formyl-6-methoxyphen-3-yloxy)methyl)nicotinate (96 mg, 0.32 mmol, 1 eq.) in a mixture of MeOH/THF (1/3, 8.0 mL) is added NaOH (3 N, 1.7 mL, 5.1 mmol, 16 eq.). The mixture is stirred at rt for 2 h, acidified to pH 3, extracted with EtOAc (3 x 20 mL). The combined organic layers are dried over Na2S04 and concentrated to give 5-((4-formyl-6- methoxypyridin-3-yloxy)methyl)nicotinic acid. | ||
As used herein, Table 1 includes compounds described below or tautomers or pharmaceutically acceptable salts thereof: ...2-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-5-methoxybenzaldehyde,2-hydroxy-6-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)benzaldehyde,2-((3-(2H-tetrazol-5-yl)benzyl)oxy)-6-hydroxybenzaldehyde,2-((4-(2H-tetrazol-5-yl)benzyl)oxy)-6-hydroxybenzaldehyde,methyl 4((2-formylphenoxy)methyl)benzoate,4-((2-formylphenoxy)methyl)benzoic acid,methyl 3-((2-formylphenoxy)methyl)benzoate,2-bromo-3-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)benzaldehyde,... |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
79% | General procedure: To a solution of piperazine-Cbz derivative (1 equiv) in MeOH (1.6 mL) palladium on carbon (0.02 g, 0.19 mmol, 1.2eq) was added and mixture was stirred under hydrogen atmosphere overnight at room temperature. Then, palladium catalyst was filtered off. The filtrate was concentrated and dissolved in CH2CI2 (3 mL). To the obtained solution were added aldehyde derivative (lequiv) and sodium triacetoxyborohydride (0.04 g, 0.19 mmol,1.2 equiv). The reaction mixture was stirred at room temperature till the completion (20h), then after addition of water, the solution was extracted with ethyl acetate. The combined organic phases were washed with brine, dried over MgSO4 and concentrated. The crude was purified by column chromatography (CH2CI2/MeOH). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
64% | In ethanol; water;Reflux; | General procedure: The corresponding aldehydes (3.5mmol), ethanol (10mL), distilled water (10mL), and barbituric acid (3mmol) were refluxed overnight. The formed solids were collected by sucking filtration and washed with boiling water (3x15 mL), ethanol (3x15 mL), and ether (3x15 mL). The solids obtained were dried in vacuum. |
A111500 [67127-91-7]
2,5-Bis(benzyloxy)benzoic acid
Similarity: 0.96
A188218 [16094-44-3]
5-(Benzyloxy)-2-hydroxybenzoic acid
Similarity: 0.96
A130448 [530-75-6]
2-((2-Acetoxybenzoyl)oxy)benzoic acid
Similarity: 0.94
A159025 [6520-83-8]
Ethyl 2-methoxy-6-methylbenzoate
Similarity: 0.94
A567086 [74733-24-7]
Methyl 4-formyl-3-methoxybenzoate
Similarity: 0.94
A524243 [152942-06-8]
Ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
Similarity: 0.88
A872054 [309964-23-6]
4-(4-Formyl-3-methoxyphenoxy)butanoic acid
Similarity: 0.88
A189016 [32884-23-4]
2-(Benzyloxy)-4-methoxybenzaldehyde
Similarity: 0.88
A111500 [67127-91-7]
2,5-Bis(benzyloxy)benzoic acid
Similarity: 0.96
A188218 [16094-44-3]
5-(Benzyloxy)-2-hydroxybenzoic acid
Similarity: 0.96
A159025 [6520-83-8]
Ethyl 2-methoxy-6-methylbenzoate
Similarity: 0.94
A130448 [530-75-6]
2-((2-Acetoxybenzoyl)oxy)benzoic acid
Similarity: 0.94
A159025 [6520-83-8]
Ethyl 2-methoxy-6-methylbenzoate
Similarity: 0.94
A567086 [74733-24-7]
Methyl 4-formyl-3-methoxybenzoate
Similarity: 0.94
A281886 [79383-44-1]
Methyl 2-methoxy-6-methylbenzoate
Similarity: 0.94