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HomeProduct name list(R)-(+)-1-(4-Methylphenyl)ethylamine

(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
(R)-(+)-1-(4-Methylphenyl)ethylamine Structural

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%.
(R)-(+)-1-(4-Methylphenyl)ethylamine synthesis

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  n20/D 1.521(lit.)
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)
ghs
Corrosion
Corrosives
GHS05
ghs
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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