EthanediaMide불순물A

EthanediaMide불순물A
EthanediaMide불순물A 구조식 이미지
카스 번호:
1210348-34-7
한글명:
EthanediaMide불순물A
동의어(한글):
EthanediaMide불순물A
상품명:
tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate
동의어(영문):
Tert-Butyl(1R,2S,5S)-2-azido-5-[(diMethylaMino)carbonyl]cyclohexylcarbaMate oxalic acid;N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-Carbamic acid, 1,1-dimethylethyl ester, ethanedioate (1:1);Edoxaban-1;EBD3313800;Yidu Saban Impurity A;Edoxaban Intermediate II;Idosaiban intermediate 2;2EthanediaMide iMpurity A;EthanediaMide iMpurity A;(1S,2R,4S)-2-[(tert-Butoxyc
CBNumber:
CB12670860
분자식:
C16H29N3O7
포뮬러 무게:
375.42
MOL 파일:
1210348-34-7.mol

EthanediaMide불순물A 속성

저장 조건
under inert gas (nitrogen or Argon) at 2-8°C
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
물리적 상태
단단한 모양
색상
하얀색
InChI
InChI=1/C14H27N3O3.C2H2O4/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5;3-1(4)2(5)6/h9-11H,6-8,15H2,1-5H3,(H,16,19);(H,3,4)(H,5,6)/t9-,10-,11+;/s3
InChIKey
IERZZGXDUZIMSC-FPTARDKGNA-N
SMILES
C(=O)(O)C(=O)O.N([C@H]1[C@H](CC[C@H](C(=O)N(C)C)C1)N)C(=O)OC(C)(C)C |&1:7,8,11,r|
CAS 데이터베이스
1210348-34-7
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.

EthanediaMide불순물A C화학적 특성, 용도, 생산

용도

tert-Butyl [(1R,2S,5S)-2-Amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate Oxalate is a starting material and useful building block of various pharmaceuticals.

용도

Tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate is also called EthanediaMide iMpurity A. It is a starting material and useful component of various pharmaceuticals. As an organic synthesis intermediate and pharmaceutical intermediate. It could be used in the synthesis and research of the EthanediaMide.

Synthesis

Tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate is prepared by the reaction of benzyl N-[(1S,2R,4S)-2-{[(tert-butoxy)carbonyl]amino}-4-(dimethylcarbamoyl)cyclohexyl]carbamate and Oxalic Acid. The steps are as follows:
Pd-C (230 mg) was added to a solution (35 mL) of benzyl t-butyl{(1S,2R,4S)-4-[(dimethylamino)carbonyl]cyclohexan-1,2-diyl}biscarbamate (2.3 g) in ethanol, and the mixture was stirred in a hydrogen atmosphere for 16 hours. Pd-C was removed by filtration, and the filtrate was concentrated under reduced pressure. Ethyl acetate (20 mL) and anhydrous oxalic acid (493.6 mg) were added to the residue, followed by stirring at room temperature for 17 hours. The formed crystals were recovered by filtration, to thereby yield 1.93 g of the Tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate.
tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate synthesis

EthanediaMide불순물A 준비 용품 및 원자재

원자재

준비 용품


EthanediaMide불순물A 공급 업체

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