Boc-3-아미노-2,2-디메틸-프로피온산

3-{[(Tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoic acid

HCID 11790631

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 180181-02-6
표준 SMILES: CC(C)(C)OC(=O)NCC(C)(C)C(=O)O
InChIKey: LSZXQEWVQORQBO-UHFFFAOYSA-N
분자식: C10H19NO4
평균 분자량: 217.26 g/mol
단동위원소 질량: 217.13140809

이름 및 식별자

우선 이름: 3-{[(Tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoic acid
IUPAC: 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
현지명: Boc-3-아미노-2,2-디메틸-프로피온산
영어명: Boc-3-amino-2,2-dimethyl-propionic acid
분자식: C10H19NO4
분자량: 217.26

이름 및 동의어

3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoic acid3-(((tert-butoxy)carbonyl)amino)-2,2-dimethylpropanoic acidRefChem:488013800-475-1180181-02-63-((tert-Butoxycarbonyl)amino)-2,2-dimethylpropanoic acid3-(Boc-amino)-2,2-dimethylpropionic AcidMFCD09952625Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethyl-3-Bocamino-2,2-dimethyl-propionic acid2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic AcidBOC-3-AMINO-2,2-DIMETHYL-PROPIONIC ACID

이름 더 보기

Boc-3-아미노-2,2-디메틸-프로피온산N-Boc-3-Amino-2,2-dimethyl-propi3-(Boc-amino)-2,2-dimethylpropionicN-Boc-3-amino-2,2-dimethylpropionic acid3-(Boc-amino)-2,2-dimethylpropanoic acid2,2-Dimethyl-β-alanine-N-(tert-butoxycarbonyl)3-(tert-butoxycarbonyl)-2,2-dimethylpropanoic acidtert-butyl 3-allyl-3-hydroxyazetidine-41-carboxylate

3-(Boc-amino)-2,2-dimethylpropionicAcid3-[(tert-Butoxycarbonyl)amino]-2,2-dimethylpropanoic acidDTXSID004728693-(tert-butoxycarbonylamino)-2,2-dimethyl-propanoic acid3-BOC-AMINO-2,2-DIMETHYL-PROPIONIC ACIDN-t-butoxycarbonyl-alpha,alpha-dimethyl-beta-alanineF8881-30353-((tert-Butoxycarbonyl)am

데이터베이스 식별자

CAS: 180181-02-6
PubChem CID: 11790631
DTXSID: DTXSID00472869
EC Number: 800-475-1
Nikkaji: J1.340.645F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 253

물리화학적 성질

끓는 점: 346.5 · 346.5±25.0 °C(Predicted)
밀도: 1.082 · 1.082±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder
산도 계수 (pKa): 4.61 · 4.61±0.10(Predicted)
InChI: 1S/C10H18O4/c1-9(2,3)14-7(11)6-10(4,5)8(12)13/h6H2,1-5H3,(H,12,13)
InChIKey: BCUIGUVXRMEZDV-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(CC(C)(C(O)=O)C)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: WGK 3
HS 번호: 29225090
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,2-Dimethyl-β-alanine-N-(tert-butoxycarbonyl) is used as a reactant in the synthesis of cryptophycin anticancer agents.

상·하류 제품 정보

상류 원료

하류 제품

Carbamic acid, N-(3-amino-2,2-dimethyl-3-oxopropyl)-, 1,1-dimethylethyl ester Methyl 3-((tert-butoxycarbonyl)aMino)-2,2-diMethylpropanoate

공급사69 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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