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ChemicalBook--->CAS DataBase List--->4187-38-6

4187-38-6

4187-38-6 Structure

4187-38-6 Structure
IdentificationMore
[Name]

(R)-(+)-1-(4-Methylphenyl)ethylamine
[CAS]

4187-38-6
[Synonyms]

(R)-(+)-1-(4-METHYLPHENYL)ETHYLAMINE
(R)-1-(4-METHYLPHENYL)ETHYLAMINE
(R)-1-P-TOLYLETHANAMINE
(R)-(+)-1-(P-TOLYL)ETHYLAMINE
(R)-(+)-4-(1-AMINOETHYL)TOLUENE
(R)-4-METHYL-ALPHA-METHYLBENZYLAMINE
(R)-(+)-ALPHA,4-DIMETHYLBENZYLAMINE
(R)-(+)-A-(P-TOLYL)ETHYLAMINE
(R)-alpha,p-Dimethylbenzylamine
Tolylethylamine
Methyl phenyl-ethylamine
(R)-(+)-ALPHA,4-DIMETHYLBENZYLAMINE, 98+ % (98% EE/GLC)
(R)-(+)-α,4-DIMETHYLBENZYLAMINE
(R)-(+)-1-(4-METHYLPHENYL)ETHYLAMINE , EE 98%
(R)-(+)-1-(P-TOLYL)ETHYLAMINE 98+%
(R)-(+)-1-(4-METHYLPHENYL)ETHYLAMINE, CHIPROS 98+%, EE 98%
Benzenemethanamine, α,4-dimethyl-, (αR)-
alpha,4-dimethylbenzylamine
(+)-p,α-Dimethylbenzylamine
(αR)-α,4-Dimethylbenzenemethanamine
[EINECS(EC#)]

624-182-1
[Molecular Formula]

C9H13N
[MDL Number]

MFCD00145202
[Molecular Weight]

135.21
[MOL File]

4187-38-6.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless to light yellow liqui
[Melting point ]

<-20°C
[alpha ]

37 º (NEAT)
[Boiling point ]

205 °C (lit.)
[density ]

0.919 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.521(lit.)
[Fp ]

180 °F
[storage temp. ]

Inert atmosphere,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 DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2619 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

2921490090
Hazard InformationBack Directory
[Chemical Properties]

Colorless to light yellow liqui
[Uses]

(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.
[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(4187-38-6) is a chiral amine.
[Synthesis]

(R)-(+)-1-(4-Methylphenyl)ethylamine prepared from (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 hour, 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.
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(+)-1-(4-Methylphenyl)ethylamine(4187-38-6)MS
(R)-(+)-1-(4-Methylphenyl)ethylamine(4187-38-6)1HNMR
(R)-(+)-1-(4-Methylphenyl)ethylamine(4187-38-6)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

(R)-(+)-1-(4-Methylphenyl)ethylamine, ChiPros 98+%, ee 98%(4187-38-6)
[Sigma Aldrich]

4187-38-6(sigmaaldrich)
[TCI AMERICA]

(R)-(+)-1-(p-Tolyl)ethylamine,>98.0%(GC)(4187-38-6)
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