Product Introduction
| 3-Ethynylaniline Basic information |
| Product Name: | 3-Ethynylaniline |
| Synonyms: | M-ETHYNYLANILINE;M-AMINOPHENYL ACETYLENE;3-AMINOPHENYLACETYLENE;3-ETHYNYLBENZENEAMINE;3-ETHYNYL-PHENYLAMINE;3-ETHYNYLANILINE;Benzenamine, 3-ethynyl-;3-ethynyl-benzenamin |
| CAS: | 54060-30-9 |
| MF: | C8H7N |
| MW: | 117.15 |
| EINECS: | 258-944-6 |
| Product Categories: | Alkynes and Other Reagents;Building Blocks;Chemical Biology;Chemical Synthesis;Conjugation Chemistry: Azides;Functionalized Alkynes;Fluorenes, etc. (reagent for high-performance polymer research);Functional Materials;Reagent for High-Performance Polymer Research;Intermediate of erlotinib hydrochloride;Alkynes;Organic Building Blocks;Terminal;Organic Building Blocks;Amines and Anilines;Acid Anhydrides, etc. (Reagents for Conducting Polymer Research);Functionalized Acetylenes;Acetylenes;Reagents for Conducting Polymer Research;54060-30-9 |
| Mol File: | 54060-30-9.mol |
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| 3-Ethynylaniline Chemical Properties |
| Melting point | 27°C |
| Boiling point | 92-93 °C (2 mmHg) |
| density | 1.04 |
| refractive index | 1.614-1.616 |
| Fp | 138 °F |
| storage temp. | 2-8°C |
| solubility | Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly) |
| pka | 3.67±0.10(Predicted) |
| form | Liquid |
| Specific Gravity | 1.12 |
| color | Clear yellow to brown |
| Water Solubility | Insoluble in water. |
| BRN | 2935417 |
| Stability: | Light Sensitive |
| InChIKey | NNKQLUVBPJEUOR-UHFFFAOYSA-N |
| CAS DataBase Reference | 54060-30-9(CAS DataBase Reference) |
| NIST Chemistry Reference | M-aminophenylacetylene(54060-30-9) |
| EPA Substance Registry System | Benzenamine, 3-ethynyl- (54060-30-9) |
| Safety Information |
| Hazard Codes | Xi,F |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39-36/37 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| TSCA | Yes |
| HazardClass | 3 |
| PackingGroup | Ⅲ |
| HS Code | 29214990 |
| MSDS Information |
| Provider | Language |
|---|---|
| 3-Ethynylaniline | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| 3-Ethynylaniline Usage And Synthesis |
| Chemical Properties | Clear yellowish to brown liquid |
| Uses | Reagent in the preparation of a labelled metabolite of Erlotinib (E625000). |
| Uses | 3-Aminophenylacetylene is used as a pharmaceutical intermediate. |
| Application | 3-Ethynylaniline may be used in the synthesis of the following benzoxazine monomers: bis{4-[3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazin-6-yloxy)]phenyl}phenylphosphino-1-one, [3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazaperhydroin-6-yl)][3-(3-ethynylphenyl)(2H,4H-benzo[3,4-e]1,3-oxazin-6-yl)]phenylphosphino-1-one, and bis[3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazin-6-yl)oxy]phenylphosphino-1-one. It may be used: To synthesize succin(m-ethynyl)dianilide and sebaco(m-ethynyl)dianilide. As a reagent in the multi-step synthesis of erlotinib hydrochloride. To prepare 3-(3-ethynylphenyl)-6-methyl-2H, 4H-benzo[e]1,3-oxazine. To prepare 3-[3-(4-acetylamino-benzyl)-[1,2,4]oxadiazol-5- yl]-N-(3-ethynyl-phenyl)-propionamide. |
| General Description | 3-Ethynylaniline is a terminal alkyne that can be prepared by the reduction of 3-ethylnylnitrobenzene. |
| 3-Ethynylaniline Preparation Products And Raw materials |
| Raw materials | Ethanol-->Hydrazinium hydroxide solution-->Stannous chloride dihydrate-->Activated carbon-->Iron chloride hexahydrate-->3-NITROPHENYLACETYLENE |
| Preparation Products | Erlotinib-->(3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide-->3-Vinylaniline-->Benzenamine, 3-ethynyl-N-methyl- (9CI)-->3-(2H-1,2,3-triazol-4-yl)aniline |
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