(R)-(+)-1-(4-Methylphenyl)ethylamine
- CAS NO.:4187-38-6
- Empirical Formula: C9H13N
- Molecular Weight: 135.21
- MDL number: MFCD00145202
- EINECS: 624-182-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-30 16:49:16
What is (R)-(+)-1-(4-Methylphenyl)ethylamine?
Chemical properties
Colorless to light yellow liquid
The Uses of (R)-(+)-1-(4-Methylphenyl)ethylamine
(R)-(+)-α,4-Dimethylbenzylamine can be used as a chiral salt of keto acid, employed in the solid-state photolysis studies of α-mesitylacetophenone derivatives.
What are the applications of Application
(R)-(+)-α,4-Dimethylbenzylamine reacts with 1,5-difluoro-2,4-dinitrobenzene (DFDNB) to form a chiral derivative reagent(CDR) via substitution of one fluorine atom.
General Description
(R)-(+)-α,4-Dimethylbenzylamine is a chiral amine.
Synthesis
(R)-(+)-1-(4-methylphenyl)ethylamine was synthesized via a series of chemical reactions with (R)-N-[1-(4-methylphenyl)ethyl]acetamide. The steps are as follows:
1 g of the compound obtained in the previous stage will be used. 2 g of n-butanol was added, 0.63 g of potassium hydroxide was added, and the temperature was raised to 100 ° C. After 24 hours of heat preservation, cool down to 10 to 20 ℃. After adding water and stirring for 0.5 hours, the mixture was allowed to stand for separation, and the organic layer was concentrated to n-butanol, and then subjected to vacuum distillation (80-100 ℃ packed column) to obtain (R)-1-(4-methylphenyl)ethylamine 0.63 g. The yield was 82%, the HPLC purity was 96.3%, and the enantiomer was 0.8%.
structure and hydrogen bonding
(R)-(+)-1-(4-Methylphenyl)ethylamine is a chiral molecule studied in the context of crystallographic analysis and optimization. Through X-ray diffraction analysis, the crystal structure of (R)-(+)-1-(4-Methylphenyl)ethylamine was determined, revealing the presence of a significant hydrogen bond between the amine group and one of the carbonyl groups. This hydrogen bond plays a crucial role in stabilizing the (R)-(+)-1-(4-Methylphenyl)ethylamine molecule, which is a recurring pattern observed in structurally similar compounds. Furthermore, the (S)-(+)-enantiomer of (R)-(+)-1-(4-Methylphenyl)ethylamine was synthesized using an enantiopure precursor, establishing an efficient method to obtain this desired form of the molecule.
Properties of (R)-(+)-1-(4-Methylphenyl)ethylamine
Melting point: | <-20°C |
Boiling point: | 205 °C (lit.) |
alpha | 37 º (NEAT) |
Density | 0.919 g/mL at 25 °C (lit.) |
refractive index | n |
Flash point: | 180 °F |
storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
pka | 9.20±0.10(Predicted) |
Specific Gravity | 0.919 |
optical activity | [α]20/D +37°, neat |
Sensitive | Air Sensitive |
BRN | 3195425 |
CAS DataBase Reference | 4187-38-6(CAS DataBase Reference) |
Safety information for (R)-(+)-1-(4-Methylphenyl)ethylamine
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for (R)-(+)-1-(4-Methylphenyl)ethylamine
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BASF India Limited
Stereokem Pvt Ltd
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