19947-39-8
基本信息
3-AMINO-3-(4-CHLOROPHENYL)PROPIONIC ACID
3-AMINO-3-(P-CHLOROPHENYL)PROPIONIC ACID
AKOS BBS-00001407
BUTTPARK 94\04-04
DL-3-AMINO-3-(4'-CHLOROPHENYL)PROPIONIC ACID
DL-3-AMINO-3-(4-CHLORO-PHENYL)-PROPIONIC ACID
DL-BETA-(P-CHLOROPHENYL)ALANINE
RARECHEM AK HC T318
3-AMINO-3-(4-CHLOROPHENYL)PROPIONIC ACI&
3-(P-CHLOROPHENYL)-DL-BETA-ALANINE
3-AMINO-3-(P-CHLOROPHENYL)PROPIONIC ACID 98%
β-Amino-4-chlorobenzenepropanoic acid
物理化学性质
| 熔点 | 223 °C (dec.)(lit.) |
| 沸点 | 345.8±32.0 °C(Predicted) |
| 密度 | 1.2409 (rough estimate) |
| 折射率 | 1.5790 (estimate) |
| 储存条件 | Sealed in dry,Room Temperature |
| 酸度系数(pKa) | 3.62±0.10(Predicted) |
| 形态 | 粉末 |
| 颜色 | 米白色 |
| BRN | 2365902 |
| InChI | 1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13) |
| InChIKey | BXGDBHAMTMMNTO-UHFFFAOYSA-N |
| SMILES | NC(CC(O)=O)c1ccc(Cl)cc1 |
| CAS 数据库 | 19947-39-8(CAS DataBase Reference) |
安全数据
| 危险性符号(GHS) | ![]() ![]() GHS06,GHS09 |
| 警示词 | 危险 |
| 危险性描述 | H330-H301-H315-H319-H410 |
| 防范说明 | P501-P273-P260-P270-P271-P264-P280-P284-P302+P352-P391-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P310-P403+P233-P405 |
| 危险品标志 | Xi |
| 危险类别码 | R36/37/38 |
| 安全说明 | S24/25 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| 危险等级 | IRRITANT |
| 海关编码 | 29224999 |
| 存储类别 | 11 - Combustible Solids |
制备方法
141-82-2
104-88-1
19947-39-8
向25 mL乙醇中依次加入5.00 g (35.6 mmol) 4-氯苯甲醛、3.70 g (35.6 mmol) 丙二酸和4.10 g (53.2 mmol) 乙酸铵,将反应混合物在75至80°C下回流搅拌8小时。反应完成后,将混合物在室温下继续搅拌1小时,随后过滤,得到5.9 g 3-氨基-3-(4-氯苯基)丙酸(外消旋混合物),为白色粉末(基于4-氯苯甲醛的分离产率为82.3%)。该化合物的物理性质如下: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; MS (EI) m/z: 199 (M+); MS (CI, i-C4H10) m/z: 200 (MH+).
参考文献:
[1] Patent: EP1621529, 2006, A1. Location in patent: Page/Page column 31
[2] Preparative Biochemistry and Biotechnology, 2013, vol. 43, # 2, p. 207 - 216
[3] European Journal of Medicinal Chemistry, 2018, vol. 156, p. 252 - 268
[4] Advanced Synthesis and Catalysis, 2017, vol. 359, # 9, p. 1570 - 1576
[5] Heterocycles, 1989, vol. 28, # 2, p. 1015 - 1035
知名试剂公司产品信息
3-氨基-3-(4-氯苯基)丙酸价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2025/12/22 | XW199473982 | 3-氨基-3-(4-氯苯基)丙酸 3-amino-3-(4-chlorophenyl)propionic acid | 19947-39-8 | 5G | 265元 |
| 2025/12/22 | XW199473981 | 3-氨基-3-(4-氯苯基)丙酸 3-amino-3-(4-chlorophenyl)propionic acid | 19947-39-8 | 1G | 91元 |
| 2025/05/22 | A2429 | 3-氨基-3-(4-氯苯基)丙酸 3-Amino-3-(4-chlorophenyl)propionic Acid | 19947-39-8 | 1g | 1165元 |

