3-Aminoacetophenone
Synonym(s):3-Acetylaniline
- CAS NO.:99-03-6
- Empirical Formula: C8H9NO
- Molecular Weight: 135.16
- MDL number: MFCD00007796
- EINECS: 202-722-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:07:02
What is 3-Aminoacetophenone?
Chemical properties
3-Aminoacetophenone is yellow to light brown crystalline powder
The Uses of 3-Aminoacetophenone
3'-Aminoacetophenone has potential anti-bacterial properties in addition to being used in the synthesis of selective antagonists at human A2B adenosine receptors. As well, it is used in the synthesis of HIV-1 Integrase Inhibitors.
The Uses of 3-Aminoacetophenone
3′-Aminoacetophenone (3-Acetylaniline) was used as reagent during the asymmetric total synthesis of pactamycin. It was used as starting reagent during the synthesis of curcumin mimics with substituted sulfonyl group.
Definition
ChEBI: 3'-Aminoacetophenone is an aromatic ketone.
Synthesis Reference(s)
Synthetic Communications, 26, p. 973, 1996 DOI: 10.1080/00397919608003701
General Description
3′-Aminoacetophenone acts as bifunctional coupling reagent during the synthesis of pyrimidines.
Safety Profile
Moderately toxic by ingestion. Mddly toxic by skin contact. A skin and eye irritant. Mutation data reported. When heated to decomposition it emits toxic fumes of NO,. See also AROMATIC AMINES.
Purification Methods
Recrystallise it from EtOH or aqueous EtOH (m 99.5o). The thiosemicarbazone has m 202-204o (from EtOH). [Beilstein 14 H 45, 14 IV 96.]
Properties of 3-Aminoacetophenone
Melting point: | 94-98 °C(lit.) |
Boiling point: | 289-290 °C(lit.) |
Density | 1.1031 (rough estimate) |
vapor pressure | 1.319Pa at 25℃ |
refractive index | 1.5700 (estimate) |
Flash point: | 289-291°C |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
form | Solid |
pka | 3.41±0.10(Predicted) |
color | Yellow to light brown crystalline powder |
Water Solubility | 7.056g/L(37.5 ºC) |
Merck | 14,413 |
BRN | 386009 |
CAS DataBase Reference | 99-03-6(CAS DataBase Reference) |
NIST Chemistry Reference | 3-Aminoacetophenone(99-03-6) |
EPA Substance Registry System | 3-Aminoacetophenone (99-03-6) |
Safety information for 3-Aminoacetophenone
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
Computed Descriptors for 3-Aminoacetophenone
3-Aminoacetophenone manufacturer
JSK Chemicals
ASM Organics
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