Introduction：Basic information about 2-[1-(Mercaptomethyl)cyclopropyl]acetic acid CAS 162515-68-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-[1-(Mercaptomethyl)cyclopropyl]acetic acid Basic information
| Product Name: | 2-[1-(Mercaptomethyl)cyclopropyl]acetic acid |
| Synonyms: | [1-(Sulfanylmethyl)cyclopropyl]acetic acid;2-[1-(MERCAPTOMETHYL)CYCLOPROPYL]ACETIC ACID;1-(MERCAPTOMETHYL)-CYCLOPROPANEACETIC ACID;1-(MERCAPTOMETHYL)CYCLOPROPYL ACETIC ACID;3-(Mercaptomethyl)cyclopropane acetic acid;1-(MERCAPTOMETHYL ) CYCLOPROPANE ACETIC ACI;Montelukast Mercapto Acid Impurity;Montelukast Intermdiates |
| CAS: | 162515-68-6 |
| MF: | C6H10O2S |
| MW: | 146.21 |
| EINECS: | 420-240-3 |
| Product Categories: | Pharmaceutical intermediates;Carboxylic Acids;Organic acids;(intermediate of montelukast);Metal Isotopes;Sulfur & Selenium Compounds;Carboxylic Acids;Ring Systems;Indoles |
| Mol File: | 162515-68-6.mol |
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2-[1-(Mercaptomethyl)cyclopropyl]acetic acid Chemical Properties
| Melting point | 42-45°C |
| Boiling point | 290.1±13.0 °C(Predicted) |
| density | 1.228±0.06 g/cm3(Predicted) |
| Fp | 110 °C |
| storage temp. | -20°C Freezer |
| solubility | soluble in Methanol |
| form | Crystalline |
| pka | 4.76±0.10(Predicted) |
| color | Off-white |
| Sensitive | Stench |
| InChI | InChI=1S/C6H10O2S/c7-5(8)3-6(4-9)1-2-6/h9H,1-4H2,(H,7,8) |
| InChIKey | VFAXPOVKNPTBTM-UHFFFAOYSA-N |
| SMILES | C1(CS)(CC(O)=O)CC1 |
| CAS DataBase Reference | 162515-68-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,N,C |
| Risk Statements | 21/22-34-43-51/53-20/21/22 |
| Safety Statements | 22-26-36/37/39-45-61 |
| RIDADR | 3261 |
| Hazard Note | Irritant/Stench |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29309090 |
2-[1-(Mercaptomethyl)cyclopropyl]acetic acid Usage And Synthesis
| Chemical Properties | Off-White Solid |
| Uses | 2-[1-(Mercaptomethyl)cyclopropyl]acetic acid is used as an intermediate of montelukast. |
2-[1-(Mercaptomethyl)cyclopropyl]acetic acid Preparation Products And Raw materials
| Raw materials | Cyclopropaneacetic acid, 1-(chloromethyl)--->Methyl 2-(1-(broMoMethyl)cyclopropyl) acetate-->1-(Acetylthiomethyl)cyclopropaneacetonitrile-->Methyl 1-(Mercaptomethyl)cyclopropaneacetate-->(1-HYDROXYMETHYL-CYCLOPROPYL)-ACETIC ACID METHYL ESTER-->1-(Hydroxymethyl)cyclopropaneacetonitrile-->1,1-Bis(hydroxymethyl)cyclopropane |
