- 3-Aminophenylacetylene
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- $14.00 / 25g
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2026-01-16
- CAS:54060-30-9
- Min. Order: 25g
- Purity: 0.98
- Supply Ability: 25kg
- 3-Aminophenylacetylene
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- $10.00 / 1KG
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2026-01-05
- CAS:54060-30-9
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: 10 mt
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| | 3-Ethynylaniline Basic information |
| | 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) | | form | Liquid | | pka | 3.67±0.10(Predicted) | | color | Clear yellow to brown | | Specific Gravity | 1.12 | | Water Solubility | Insoluble in water. | | BRN | 2935417 | | Stability: | Light Sensitive | | InChI | 1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2 | | InChIKey | NNKQLUVBPJEUOR-UHFFFAOYSA-N | | SMILES | Nc1cccc(c1)C#C | | 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) |
| 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 | TSCA listed | | HazardClass | 3 | | PackingGroup | Ⅲ | | HS Code | 29214990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| | 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. | | reaction suitability | reaction type: click chemistry | | Synthesis | Starting with m-nitrocinnamic acid: First, it undergoes an addition reaction with liquid bromine in glacial acetic acid to generate 3-(3-nitro)phenyl-2,3-dibromopropionic acid; subsequently, it undergoes dehydrobromination and decarboxylation reactions under the action of an organic base (such as DBU) to generate the key intermediate m-nitrophenylacetylene; finally, the nitro group is reduced to an amino group using iron powder in an acidic aqueous ethanol solution to obtain the target product 3-Ethynylaniline. |
| | 3-Ethynylaniline Preparation Products And Raw materials |
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