METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE
![METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE Structure](CAS/GIF/89901-03-1.gif)
- 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
- Molecular Weight:
- 291.14
- MDL Number:
- MFCD00496638
- MOL File:
- 89901-03-1.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| Methyl 4-(4-bromophenyl)benzoate 95% | 722308 | 1g | $288 |
| 4'-Bromo-biphenyl-4-carboxylic acid methyl ester Asreported | 263893 | 250mg | $305 |
| 4'-Bromo-biphenyl-4-carboxylic acid methyl ester Asreported | 263893 | 500mg | $403 |
| 4'-Bromo-biphenyl-4-carboxylic acid methyl ester Asreported | 263893 | 1g | $531 |
| 4'-Bromo-biphenyl-4-carboxylic acid methyl ester Asreported | 263893 | 2g | $715 |
| More product size | |||
| 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. |
| InChI | 1S/C14H11BrO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3 |
| InChIKey | JHNMJLKCONRGMK-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(cc1)-c2ccc(Br)cc2 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS09 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H318-H410 | |||||||||
| Precautionary statements | P273-P280-P305+P351+P338-P501 | |||||||||
| 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 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 |
|||||||||
| NFPA 704 |
|
METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE price More Price(47)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 722308 | Methyl 4-(4-bromophenyl)benzoate 95% | 89901-03-1 | 1g | $288 | 2026-04-30 | Buy |
| Usbiological | 263893 | 4'-Bromo-biphenyl-4-carboxylic acid methyl ester Asreported | 89901-03-1 | 250mg | $305 | 2026-06-03 | Buy |
| Usbiological | 263893 | 4'-Bromo-biphenyl-4-carboxylic acid methyl ester Asreported | 89901-03-1 | 500mg | $403 | 2026-06-03 | Buy |
| Usbiological | 263893 | 4'-Bromo-biphenyl-4-carboxylic acid methyl ester Asreported | 89901-03-1 | 1g | $531 | 2026-06-03 | Buy |
| Usbiological | 263893 | 4'-Bromo-biphenyl-4-carboxylic acid methyl ester Asreported | 89901-03-1 | 2g | $715 | 2026-06-03 | Buy |
METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE Chemical Properties,Uses,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
![METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE](/CAS/GIF/89901-03-1.gif)
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
1of3
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 32998 | 60 |
| Shanghai Daeyeon Chemicals Co., Ltd | 021-64478606 15900664856 | daeyeon001@vip.163.com | China | 2062 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 17705817739 | info@dycnchem.com | China | 52693 | 58 |
| HANGZHOU LEAP CHEM CO., LTD. | +86-571-87711850 +8619957148339 | market18@leapchem.com | China | 24569 | 58 |
| SUZHOU SENFEIDA CHEMICAL CO.,LTD | +86-0512-83500002 +86-15195660023 | 3899766280@qq.com | China | 26349 | 58 |
| Jilin Chinese Academy of Sciences-yanshen Technology | 18143011203 | info@chemextension.com | China | 42052 | 58 |
| Aladdin Scientific | tp@aladdinsci.com | United States | 57473 | 58 | |
| Suzhou ARTK Medchem Co., Ltd. | +86-18168183658 | sales1@artkmedchem.com | China | 39007 | 58 |
| Amadis Chemical Company Limited | 571-89925085 | sales@amadischem.com | China | 131885 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
