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

(R)-(+)-1-(4-Methylphenyl)ethylamine 구조식 이미지
카스 번호:
4187-38-6
상품명:
(R)-(+)-1-(4-Methylphenyl)ethylamine
동의어(영문):
Tolylethylamine;(R)-1-P-TOLYLETHANAMINE;Methyl phenyl-ethylamine;(+)-p,α-Dimethylbenzylamine;alpha,4-dimethylbenzylamine;(R)-1-(p-tolyl)ethan-1-amine;(R)-(+)-1-(P-TOLYL)ETHYLAMINE;(R)-(+)-A-(P-TOLYL)ETHYLAMINE;(R)-(+)-4-(1-AMINOETHYL)TOLUENE;(R)-alpha,p-Dimethylbenzylamine
CBNumber:
CB9311444
분자식:
C9H13N
포뮬러 무게:
135.21
MOL 파일:
4187-38-6.mol
MSDS 파일:
SDS

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

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)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 C
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 3
위험 등급 8
포장분류 III
HS 번호 2921490090
그림문자(GHS): GHS hazard pictogramsGHS hazard pictograms
신호 어: Danger
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H314 피부에 심한 화상과 눈에 손상을 일으킴 피부부식성 또는 자극성물질 구분 1A, B, C 위험 GHS hazard pictograms P260,P264, P280, P301+P330+ P331,P303+P361+P353, P363, P304+P340,P310, P321, P305+ P351+P338, P405,P501
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P301+P312 삼켜서 불편함을 느끼면 의료기관(의사)의 진찰을 받으시오.
P303+P361+P353 피부(또는 머리카락)에 묻으면 오염된 모든 의복은 벗거나 제거하시오 피부를 물로 씻으시오/샤워하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
2
3 0

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

(R)-(+)-1-(4-Methylphenyl)ethylamine 준비 용품 및 원자재

원자재

준비 용품


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