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3-Ethynylaniline

ALDRICH/498289 - ≥98%

CAS Number: 54060-30-9
Empirical Formula (Hill Notation): C8H7N
Molecular Weight: 117.15
EC Number: 258-944-6
MDL Number: MFCD00014779
Linear Formula: HC≡CC6H4NH2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-498289-5G 5 g
 $105.00
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 498289-5G

 

assay ≥98%
InChI 1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2
InChI key NNKQLUVBPJEUOR-UHFFFAOYSA-N
reaction suitability reaction type: click chemistry
SMILES string Nc1cccc(c1)C#C
storage temp. 2-8°C
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
• 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.
Packaging: 5 g in glass bottle
Purity ≥98%
Storage Temp. 2-8°C
UNSPSC 12352100

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