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| | (S)-3-Amino-3-(4-chlorophenyl)propan-1-ol Basic information |
| Product Name: | (S)-3-Amino-3-(4-chlorophenyl)propan-1-ol | | Synonyms: | (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL;(S)-3-(4-chlorophenyl)-beta-alaninol HCl;(S)-3-aMino-3-(4-chloro-phenyl)propan-1-ol ;(2S)-3-amino-2-(4-chlorophenyl)propan-1-ol;Benzenepropanol, .gamma.-amino-4-chloro-, (.gamma.S)-;Benzenepropanol, g-amino-4-chloro-, (gS);(3S)-3-amino-3-(4-chlorophenyl)propan-1-ol;REF DUPL: (S)-beta-(4-chlorophenyl)alaninol | | CAS: | 886061-26-3 | | MF: | C9H12ClNO | | MW: | 185.65 | | EINECS: | | | Product Categories: | 1 | | Mol File: | 886061-26-3.mol |  |
| | (S)-3-Amino-3-(4-chlorophenyl)propan-1-ol Chemical Properties |
| Melting point | 53-56 °C | | Boiling point | 327.9±27.0 °C(Predicted) | | density | 1.216 | | storage temp. | 2-8°C(protect from light) | | pka | 14.87±0.10(Predicted) | | Appearance | White to off-white Solid | | InChI | InChI=1/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/s3 | | InChIKey | JGNACDMQJLVKIU-DJEYLCQNNA-N | | SMILES | [C@H](C1C=CC(Cl)=CC=1)(N)CCO |&1:0,r| |
| | (S)-3-Amino-3-(4-chlorophenyl)propan-1-ol Usage And Synthesis |
| Description | (S)-3-Amino-3-(4-chlorophenyl)propan-1-ol is an intermediate of capasitinib, which is used in the preparation of antitumour drugs. | | Uses | (S)-3-amino-3-(4-chlorophenyl)propan-1-ol is commonly used as an intermediate in organic synthesis.
| | Synthesis | (S) -3-amino-3 -(4-chlorophenyl)propan-1-ol can be synthesized through chemical catalysis or biological transaminase catalysis.
(1) Chemical synthesis method: Using chloroacetonitrile and methanol as the starting substrates, HCl gas is introduced during the reaction process to obtain iminochloroethyl alkyl ether hydrochloride. Subsequently, Amino urea hydrochloride is added to obtain (S) -3-amino-3 -(4-chlorophenyl)propan-1-ol. Alternatively, (S) -3-amino-3 -(4-chlorophenyl) -propan-1-OL can be obtained through catalytic reduction using the prepared (S) -3-amino-3 -(4-chlorophenyl) -propionic acid as the precursor.
(2) Biosynthesis method: Using 1-(4-chlorophenyl) -3-hydroxyacetone as the substrate and transaminase (SEQ ID NO. 1-6) and its mutants as catalysts, (S) -3-amino-3 -(4-chlorophenyl)propan-1-ol is prepared through transamination reaction.
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| | (S)-3-Amino-3-(4-chlorophenyl)propan-1-ol Preparation Products And Raw materials |
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