기본 정보
- CAS
13734-40-2- 표준 SMILES
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
LKRXXARJBFBMCE-BDAKNGLRSA-N- 분자식
- C13H25NO5
- 평균 분자량
- 275.34 g/mol
- 단동위원소 질량
- 275.1732729
이름 및 식별자
- 우선 이름
- (2S,3R)-3-(tert-butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acid
- IUPAC
- (2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- 영어명
- Boc-O-tert-butyl-L-threonine
- 분자식
- C13H25NO5
- 분자량
- 275.34
이름 및 동의어
(2S,3R)-3-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid(2S,3R)-3-(tert-butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acidN-((1,1-Dimethylethoxy)carbonyl)-O-(1,1-dimethylethyl)-L-threonineN-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-threonineRefChem:398775834-860-0Boc-Thr(tBu)-OH13734-40-2Boc-O-tert-butyl-L-threonineN-Boc-O-(tert-butyl)-L-threonineMFCD00151115(2S,3R)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)butanoic acid
이름 더 보기
BOC-L-THR(TBU)-OHBocThr(tBu)BOC-THR(BUT)-OHBOC-THREONINE(TBU)-OHBoc-Thr(tBu)-OH, 99.0%N-T-boc-O-T-butyl-L-threonineBoc-O-tert-butyl-L-threonine99%
Boc-Thr(t-Bu)-OH(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid(2S,3R)-3-tert-butoxy-2-(tert-butoxycarbonylamino)butanoic acidN-(tert-Butoxycarbonyl)-O-(tert-butyl)-L-threonine(2s,3r)-3-tert-butoxy-2-[(tert-butoxycarbonyl)amino]butanoic acidBoc-O-t-butyl-L-threonineL-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-n-(tert-butoxycarbonyl)-o-tert-butyl-l-threonine
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 84.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 327
물리화학적 성질
- 녹는점
- 95 · 95-98 °C
- 끓는 점
- 391.3 · 391.3±37.0 °C(Predicted)
- 밀도
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMF에 용해됩니다.
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.53 · 3.53±0.10(Predicted)
- 색상
- White to off-white
- BRN
- 4454820 · 4454820
- 주요 응용
- 펩타이드 합성
- InChI
- 1S/C13H25NO5/c1-8(18-12(2,3)4)9(10(15)16)14-11(17)19-13(5,6)7/h8-9H,1-7H3,(H,14,17)(H,15,16)/t8-,9+/m1/s1
- InChIKey
- LKRXXARJBFBMCE-BDAKNGLRSA-N
- SMILES
- C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(O)=O
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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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
- wgk
- 3
- HS 번호
- 2924 19 00
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도N-Boc-O-tert-butyl-L-threonine is used as pharmaceutical intermediate.
일반 설명Boc-Thr(t-Bu)-OH (N-Boc-O-tert-butyl-L-threonine) participates in the synthesis of 2,3-unsaturated glycosides, via reaction with per-O-acetylated glucal in the presence of Er(OTf)3 catalyst.
공급사100 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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