Introduction：Basic information about (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline CAS 64838-55-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline Basic information
| Product Name: | (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline |
| Synonyms: | N-[3-(ACETYLTHIO)-(2S)-METHYL-1-OXOPROPYL]-L-PROLINE HYDRATE;1-[(S)-3-(Acetylthio)isobutyryl]-L-proline1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline;D-(S)-3-Acetylthio-2-Methyl-L-proline;(2S)-1-[(2S)-3-(Acetylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid;Acetylcaptopril;N-(3-ACETYLTHIO-2-D-METHYLPROPIONIL)-L-PROLINE;N-[3-(ACETYLTHIO)-(2S)-METHYL-1-OXOPROPYL]-L-PROLINE;Captopril EP Impurity J |
| CAS: | 64838-55-7 |
| MF: | C11H17NO4S |
| MW: | 259.32 |
| EINECS: | 265-250-7 |
| Product Categories: | Sulphur Derivatives;(intermediate of captopril);Peptide Synthesis;Proline Derivatives;Unnatural Amino Acid Derivatives |
| Mol File: | 64838-55-7.mol |
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(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline Chemical Properties
| Melting point | 76-82 °C(lit.) |
| alpha | -158 º (c=1, MeOH) |
| Boiling point | 464.8±40.0 °C(Predicted) |
| density | 1.291±0.06 g/cm3(Predicted) |
| refractive index | -160 ° (C=1, MeOH) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 3.56±0.20(Predicted) |
| color | White |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/p-1/t7-,9+/m1/s1 |
| InChIKey | ZNQRGUYIKSRYCI-APPZFPTMSA-M |
| SMILES | S(C[C@@H](C)C(=O)N1[C@@H](CCC1)C(=O)[O-])C(=O)C |
| CAS DataBase Reference | 64838-55-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36 |
| Safety Statements | 24/25-26 |
| WGK Germany | 3 |
| HS Code | 2933.99.9701 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Repr. 2
Skin Sens. 1
STOT RE 1 Oral |
(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline Usage And Synthesis
| Chemical Properties | white fine powder |
| Uses | (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline is used in the preparation of captopril derivatives, used as angiotensin converting enzymes. |
(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline Preparation Products And Raw materials
| Preparation Products | Acetic acid-->Sodium nitrate-->Potassium Phosphate Monobasic-->Benzenesulfonic acid-->Imidapril-->L-Malic acid-->Cefoperazone-->Calcium chloride dihydrate-->1-Diazo-2-naphthol-4-sulfonic acid-->3-Methylbutyl 3-methylbutanoate-->Isobornyl acetate-->PEPLOMYCIN-->Squalene-->Sodium hydrogen difluoride-->Nickel sulfate hexahydrate |
