METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE
- Product Name
- METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE
- CAS No.
- 89901-03-1
- Chemical Name
- METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE
- Synonyms
- AKOS BAR-2392;Methyl 4-(4-bromophenyl)benzoate;Methyl 4'-bromobiphenyl-4-carboxylate;Methyl 4'-bromobiphenyl-4-carboxylate, 95%;METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE;methyl 4'-bromo-[1,1'-biphenyl]-4-carboxylate;4′-Bromobiphenyl-4-carboxylic acid methyl ester;Methyl 4'-bromo-[1,1'-biphenyl]-4-carboxylate 95%;[1,1'-Biphenyl]-4-carboxylicacid, 4'-bromo-, methyl ester;Methyl 4′-bromo[1,1′-biphenyl]-4-carboxylate, CAS 89901-03-1
- CBNumber
- CB7277971
- Molecular Formula
- C14H11BrO2
- Formula Weight
- 291.14
- MOL File
- 89901-03-1.mol
METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE Property
- Melting point:
- 146-148°C
- Boiling point:
- 382.7±25.0 °C(Predicted)
- Density
- 1.394±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- solid
- Appearance
- White to off-white Solid
- Water Solubility
- Slightly soluble in water.
Safety
- Hazard Codes
- Xi,N
- Risk Statements
- 36/37/38-50/53-41
- Safety Statements
- 26-36/37/39-61-60-39
- RIDADR
- UN 3077 9 / PGIII
- WGK Germany
- 2
- HazardClass
- IRRITANT
- HS Code
- 2916399090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H318Causes serious eye damage
H410Very toxic to aquatic life with long lasting effects
- Precautionary statements
-
P273Avoid release to the environment.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 722308
- Product name
- Methyl 4-(4-bromophenyl)benzoate
- Purity
- 95%
- Packaging
- 1g
- Price
- $270
- Updated
- 2025/07/31
- Product number
- M295472
- Product name
- Methyl4''-Bromo-[1,1''-biphenyl]-4-carboxylate
- Packaging
- 1g
- Price
- $180
- Updated
- 2021/12/16
- Product number
- OR52003
- Product name
- Methyl4'-bromo-[1,1'-biphenyl]-4-carboxylate
- Purity
- 95%
- Packaging
- 1g
- Price
- $182
- Updated
- 2021/12/16
- Product number
- 2623-9-22
- Product name
- Methyl 4'-bromo-[1,1'-biphenyl]-4-carboxylate
- Packaging
- 1g
- Price
- $200
- Updated
- 2021/12/16
- Product number
- FB33163
- Product name
- 4'-Bromo-biphenyl-4-carboxylic acid methyl ester
- Packaging
- 250mg
- Price
- $60
- Updated
- 2021/12/16
METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE Chemical Properties,Usage,Production
Uses
It is employed in the design, synthesis, and biological evaluation of novel nonsteroidal farnesoid x receptor (fxr) antagonists.
Synthesis
619-44-3
5467-74-3
89901-03-1
Methyl 4-iodobenzoate (9.38 g, 35.8 mmol) and 4-bromophenylboronic acid (7.18 g, 35.8 mmol) were added to Pd(PPh3)4 (2.07 g, 1.79 mmol) in a solvent mixture of toluene (180 mL) and ethanol (100 mL) to form a clarified solution. To this solution was added 4.0 M aqueous sodium carbonate (30 mL). The reaction mixture was refluxed at 80°C for 4 hours. Upon completion of the reaction, the mixture was cooled to room temperature and diluted with ethyl acetate (300 mL). The organic layer was washed sequentially with water (2 x 300 mL), saturated aqueous NaHCO3 (2 x 300 mL) and saturated aqueous NaCl, and then dried over MgSO4. After concentrating the organic phase, the residue was purified by column chromatography (eluent: 7% ethyl acetate-heptane) to afford the white solid product methyl 4'-bromo[1,1'-biphenyl]-4-carboxylate (7.8 g, 78% yield).1H NMR (CDCl3) δ: 8.10 (d, 2H, J = 9.0 Hz), 7.62 (d, 2H, J = 9.0 Hz), 7.59 (d, 2H, J = 9.0 Hz), 7.59 (d, 2H, J = 9.0 Hz), 7.59 (d, 2H, J = 9.0 Hz) 7.59 (d, 2H, J = 9.3 Hz), 7.48 (d, 2H, J = 9.3 Hz), 3.95 (s, 3H).
References
[1] Patent: WO2004/99170, 2004, A2. Location in patent: Page 57
[2] Patent: WO2006/55625, 2006, A2. Location in patent: Page/Page column 94-95
[3] Patent: WO2006/55725, 2006, A2. Location in patent: Page/Page column 179
[4] Patent: WO2004/99171, 2004, A2. Location in patent: Page 116-117
METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE Preparation Products And Raw materials
Raw materials
Preparation Products
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