(3R, 4R, 5S) -4- (아세틸 아미노) -5- 아지도 -3- (1- 에틸 프로 폭시) 시클로 부트 -1- 엔 -1- 카르 복실 레이트 에틸

Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate

HCID 9967681

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 204255-06-1
표준 SMILES: CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N=[N+]=[N-])C1
InChIKey: MPTCBJSPQVJIPZ-RRFJBIMHSA-N
분자식: C16H26N4O4
평균 분자량: 338.4 g/mol
단동위원소 질량: 338.19540531

개요

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이름 및 식별자

우선 이름: Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate
IUPAC: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-pentan-3-yloxycyclohexene-1-carboxylate
현지명: (3R, 4R, 5S) -4- (아세틸 아미노) -5- 아지도 -3- (1- 에틸 프로 폭시) 시클로 부트 -1- 엔 -1- 카르 복실 레이트 에틸
영어명: Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate
분자식: C16H26N4O4
분자량: 0

이름 및 동의어

Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylateRefChem:5930995-Azido Oseltamivir204255-06-1ethyl (3R,4R,5S)-4-acetamido-5-azido-3-pentan-3-yloxycyclohexene-1-carboxylateETHYL (3R,4R,5S)-5-AZIDO-4-ACETAMIDO-3-(PENTAN-3-YLOXY)CYCLOHEX-1-ENE-1-CARBOXYLATE1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-FL2DFL7H8BSCHEMBL13448858DTXSID30942606AKOS015901826FA18079

이름 더 보기

(3R,4R,5S)-4-(아세틸아미노)-5-아지도-3-(1-에틸프로폭시)시클로부트-1-엔-1-카르복실레이트에틸Oseltamivir Impurity 122Oseltamivir Impurity 1415-Azido Oseltamivir CAS NO.204255-06-1ethyl (3R,4R,5S)-4-(acetylamino)-5-azido-3-(1-ethylpropoxy)c...((3R,4R,5S)-ethyl 4-acetamido-5-azido-3(pentan-3- yloxy)cyclohex-1-enecarboxylate)ethyl (3r,4r,5s)-4-acetamido-5-azido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylateEthyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate

ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)cyclohexene-1-carboxylate1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-AS-92021NS00011482H60146(3R,4R,5S)-ethyl 4-acetamido-5-azido-3-(pentan-3-yloxy)cyclohex-1-enecarboxylateethyl (3R, 4R, 5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylateEthyl (3R,4R,5S)-4-(Acetylamino)-5-azido-3-(1-ethyl propoxy)-1-cyclohexene-1-carboxylate

데이터베이스 식별자

CAS: 204255-06-1
PubChem CID: 9967681
DTXSID: DTXSID30942606
UNII: FL2DFL7H8B
Nikkaji: J2.622.180C

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 79 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 9
무거운 원자 수: 24
형식 전하: 0
복잡도: 524

물리화학적 성질

녹는점: 135 · 135-137°C
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름, DMSO(약간), 메탄올(약간)에 용해됨
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: InChI=1/C16H26N4O4/c1-5-12(6-2)24-14-9-11(16(22)23-7-3)8-13(19-20-17)15(14)18-10(4)21/h9,12-15H,5-8H2,1-4H3,(H,18,21)/t13-,14+,15+/s3
InChIKey: MPTCBJSPQVJIPZ-HEFVDOERNA-N
SMILES: C1(C[C@H](N=[N+]=[N-])[C@H]([C@H](OC(CC)CC)C=1)NC(C)=O)C(OCC)=O |&1:2,6,7,r|

화학적 성질

Off-White Solid

안전 및 규제

안전 데이터

기존화학 물질: 2009-3-3889

화학 및 산업

응용 분야

용도Intermediate in the production of Oseltamivir.

상·하류 제품 정보

상류 원료

1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-3-(1-ethylpropoxy)-5-hydroxy-, ethyl ester, (3R,4R,5R)-오셀타미비르 7-Azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 7-acetyl-5-(1-ethylpropoxy)-, ethyl ester, (1R,5R,6R)-

공급사90 곳

天津始加生物医药科技有限公司15022261580 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

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