rac-(1R,3R,4S)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
486415-32-1- 표준 SMILES
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)O- InChIKey
IFAMSTPTNRJBRG-VGMNWLOBSA-N- 분자식
- C12H19NO4
- 평균 분자량
- 241.28 g/mol
이름 및 식별자
- 우선 이름
- rac-(1R,3R,4S)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
- IUPAC
- (1S,3S,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
- 영어명
- Racemic-(1S,3S,4R)-2-(Tert-Butoxycarbonyl)-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acid
- 분자식
- C12H19NO4
- 분자량
- 241.28
이름 및 동의어
486415-32-1rac-(1R,3R,4S)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acidrac-(1R,3R,4S)-2-((tert-butoxy)carbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acidRefChem:873000841-189-7134877-62-6(1S,3S,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid(1S,3S,4R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid(1S,3S,4R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid(1S,3R,4S)-2-(TERT-BUTOXYCARBONYL)-2-AZABICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID(1S,3S,4R)-2-tert-butoxycarbonyl-2-azabicyclo[2.2.1]heptane-3-carboxylic acidSCHEMBL4663434
이름 더 보기
endo-2-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic AcidRel-(1S,3S,4R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acidrel-(1R,3R,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acidRacemic-(1S,3S,4R)-2-(Tert-Butoxycarbonyl)-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acidrac-(1R,3R,4S)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid, endo2-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (1R,3R,4S)-rel-
IFAMSTPTNRJBRG-VGMNWLOBSA-NSY386446G15505EN300-1697160(1S,3S,4R)-2-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic Acidendo-2-tert-butoxycarbonyl-2-azabicyclo[2.2.1]heptane-3-carboxylic acid(1 S,3S,4R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid(1S,3S,4R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylicacid
데이터베이스 식별자
- CAS
486415-32-1- PubChem CID
- 69134534
- EC Number
- 841-189-7
물성
구조 계산 물성보충 중
- XLogP
- 1.7
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 347
물리화학적 성질
- 끓는 점
- 371 · 371.0±25.0 °C(Predicted)
- 밀도
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.05 · 4.05±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
응용 분야
용도(1S,3S,4R)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid is a useful reagent in the preparation of β-amino acids amides of stereoisomers of azabicyclo[2.2.1]heptyl carbonitriles and oxadiazoles as dipeptidyl peptidase-4 inhibitors useful for type 2 diabetes treatment.
관련 반응
2건
화합물 노트
불러오는 중…