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| | (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid Basic information |
| Product Name: | (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid | | Synonyms: | (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid;3-AMino-3-(4-broMophenyl)propionic acid, 97+%;Benzenepropanoic acid, b-aMino-4-broMo-;DL-beta-(4-bromophenyl)alanine;RARECHEM AK HD C006;TIMTEC-BB SBB000836;BETA-AMINO-4-BROMO-BENZENEPROPANOIC ACID;DL-3-AMINO-3-(4-BROMO-PHENYL)-PROPIONIC ACID | | CAS: | 39773-47-2 | | MF: | C9H10BrNO2 | | MW: | 244.09 | | EINECS: | | | Product Categories: | B-Amino | | Mol File: | 39773-47-2.mol |  |
| | (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid Chemical Properties |
| Melting point | 235-236°C | | Boiling point | 378.1±32.0 °C(Predicted) | | density | 1.585 | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | form | solid | | pka | 3.62±0.10(Predicted) | | Appearance | White to off-white Solid | | Sensitive | Air Sensitive | | InChI | 1S/C10H10N2.ClH/c1-7-6-10(11)12-9-5-3-2-4-8(7)9;/h2-6H,1H3,(H2,11,12);1H | | InChIKey | MGQUCOSFNHEWSP-UHFFFAOYSA-N | | SMILES | NC1=NC2=CC=CC=C2C(C)=C1.Cl | | CAS DataBase Reference | 39773-47-2(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 41 | | Safety Statements | 26-39 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 2921490090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1 |
| | (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid Usage And Synthesis |
| Synthesis | To 30 mL of ethanol was added 5.00 g (27.0 mmol) of p-bromobenzaldehyde, 2.80 g (27.0 mmol) of malonic acid, and 3.10 g (40.2 mmol) of ammonium acetate, and the reaction mixture was refluxed and stirred for 10 hr at 75 to 80°C. The reaction was carried out by stirring the mixture for 1 hr at room temperature. After completion of the reaction, the mixture was continued to be stirred at room temperature for 1 h. Subsequent filtration afforded 4.8 g of DL-3-amino-3-(4-bromophenyl)propionic acid (racemic mixture) in 72.2% isolated yield based on p-bromobenzaldehyde, and the product was a white powder.The physical properties of DL-3-amino-3-(4-bromophenyl)propionic acid (racemic mixture) were as follows:1H-NMR ( δ (ppm), D2O): 2.93 (dd, 1H, J = 17.1, 6.8 Hz), 3.04 (dd, 1H, J = 17.1, 7.8 Hz), 4.63 (dd, 1H, J = 7.8, 6.8 Hz), 7.22 (s, 1H), 7.24 (s, 1H), 7.47 (s, 1H), 7.49 (s, 1H); 13C-NMR (δ (ppm), D2O): 40.4, 53.9, 126.0, 131.9, 135.3, 137.1, 175.9. | | References | [1] Advanced Synthesis and Catalysis, 2010, vol. 352, # 2-3, p. 395 - 406
[2] Advanced Synthesis and Catalysis, 2017, vol. 359, # 9, p. 1570 - 1576
[3] Patent: EP1621529, 2006, A1. Location in patent: Page/Page column 33
[4] European Journal of Medicinal Chemistry, 2018, vol. 156, p. 252 - 268
[5] Journal of the Chemical Society. Perkin Transactions 1, 2001, # 14, p. 1673 - 1695 |
| | (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid Preparation Products And Raw materials |
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