(R)-(+)-1-(4-메틸페닐)에틸아민

한글명:(R)-(+)-1-(4-메틸페닐)에틸아민

카스 번호4187-38-6

상품명:(R)-(+)-1-(4-Methylphenyl)ethylamine

CBNumberCB9311444

분자식C9H13N

포뮬러 무게135.21

MOL 파일4187-38-6.mol

동의어(한글)

(R)-(+)-1-(4-메틸페닐)에틸아민

화학적 성질

녹는점	<-20°C
끓는 점	205 °C (lit.)
알파	37 º (NEAT)
밀도	0.919 g/mL at 25 °C (lit.)
굴절률	n20/D 1.521(lit.)
인화점	180 °F
저장 조건	under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa)	9.20±0.10(Predicted)
Specific Gravity	0.919
optical activity	[α]20/D +37°, neat
감도	Air Sensitive
BRN	3195425
CAS 데이터베이스	4187-38-6(CAS DataBase Reference)

위험 및 안전 성명

위험품 표기

위험 카페고리 넘버

20/21/22-34

안전지침서

16-26-27-36/37/39-45

유엔번호(UN No.)

UN 2619 8/PG 2

WGK 독일

위험 등급

포장분류

III

HS 번호

2921490090

NFPA 704:

	2
3		0

그림문자(GHS)

(R)-(+)-1-(4-메틸페닐)에틸아민 화학적 특성, 용도, 생산

화학적 성질
Colorless to light yellow liquid
용도
(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.
주요 응용
(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.
일반 설명
(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.

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