(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid

(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid 구조식 이미지
카스 번호:
1012341-50-2
상품명:
(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid
동의어(영문):
(2R,4S)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)aMino]-2-Methylpentanoic acid;(2R,4S)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl) amino]-2-methylpentanoic acid AHU84;AHU;sacubitril intermediate;AHU08;LCZ696-24;4S)-5-([1;LCZ696 INT;LCZ696S-01;LCA696 inter
CBNumber:
CB62723688
분자식:
C23H29NO4
포뮬러 무게:
383.48
MOL 파일:
1012341-50-2.mol

(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid 속성

녹는점
145-147°C
끓는 점
582.6±50.0 °C(Predicted)
밀도
1.115±0.06 g/cm3(Predicted)
저장 조건
2-8°C
용해도
클로로포름 (약간 용해됨), DMSO (약간 용해됨), 메탄올 (약간 용해됨,초음파처리)
산도 계수 (pKa)
4?+-.0.23(Predicted)
물리적 상태
고체
물리적 상태
단단한 모양
색상
흰색에서 황백색까지
InChI
InChI=1/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20+/s3
InChIKey
YNELJETWNMPEEH-OXDNQSQGNA-N
SMILES
C(O)(=O)[C@H](C)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(C2=CC=CC=C2)C=C1 |&1:3,6,r|
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.

(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid C화학적 특성, 용도, 생산

Synthesis

Dissolve 2g [Ru] catalyst (diiodo(p-cymene) ruthenium(II) dimer) and 1.3g (R,R)-Me-Duphos in 20mL toluene, and react at 65-70 for one hour , Prepared as a chiral catalyst. Add the toluene solution of the above chiral catalyst into a clean hydrogenation kettle, and sequentially add SM1 (763g), 202g triethylamine, and 16L methanol solvent, and then seal the hydrogenation kettle to replace the nitrogen for three times and then replace the hydrogen for three times (0.4-0.5MPa) The reaction was carried out at 55°C for 12 hours under pressure, and the reaction liquid was taken for liquid phase detection. The conversion rate of reaction SM1 reached 99.99%. The reaction solution is filtered and concentrated, and the pure (2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid can be obtained by beating with n-hexane and ethyl acetate (1:1); the yield is 96.1%, and the product is an off-white solid.

(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid 준비 용품 및 원자재

원자재

준비 용품


(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid 공급 업체

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