tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate

HCID 375613CAS 87694-49-3

기본 정보

표준 SMILES: CON(C)C(=O)C(C)NC(=O)OC(C)(C)C
InChIKey: PWQIGBOSLQHOBT-UHFFFAOYSA-N
분자식: C10H20N2O4
평균 분자량: 232.28 g/mol
단동위원소 질량: 232.14230712

이름 및 식별자

우선 이름: tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate
IUPAC: tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
영어명: Boc-Ala-n(OCH3)CH3
분자식: C10H20N2O4
분자량: 232.28

이름 및 동의어

tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamateNSC 655435RefChem:38317787694-49-3342603-65-0tert-butyl (1-(methoxy(methyl)amino)-1-oxopropan-2-yl)carbamatetert-butyl N-{1-[methoxy(methyl)carbamoyl]ethyl}carbamateMFCD11977209N-Boc-DL-alanine N'-methoxy-N'-methylamideNSC655435Carbamic acid, N-[2-(methoxymethylamino)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl estertert-butyl N-[2-[methoxy(methyl)amino]-1-methyl-2-oxo-ethyl]carbamate

이름 더 보기

EOS-60721Boc-Ala-N-OBoc-Ala-NMe(OMe)Boc-Ala-n(OCH3)CH3Boc-L-Ala-N(OCH3)CH3BOC-ALA-N(OCH3)CH3 USP/EP/BPBoc-L-alanine-N'-methoxy-N'-carboxamideN-Boc-L-alanine N'-Methoxy-N'-methylamide(S)-2-(Boc-aMino)-N-Methoxy-N-MethylpropanaMide

BOC-L-ALANINE N-METHOXY-N-METHYL AMIDEtert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamateSCHEMBL153319tert-butyl (S)-(1-(methoxy(methyl)amino)-1-oxopropan-2-yl)carbamate[(R)-1-(N-Methoxy-N-methyl-carbamoyl)-ethyl]-carbamic acid tert-butyl esterPWQIGBOSLQHOBT-UHFFFAOYSA-NDTXSID501007753SNA60365

데이터베이스 식별자

CAS: 87694-49-3
PubChem CID: 375613
Nikkaji: J1.819.458I

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 67.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 16
형식 전하: 0
복잡도: 260

물리화학적 성질

녹는점: 148 · 148-153 °C (lit.)
밀도: 1.07 · 1.070
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 11.19 · 11.19±0.46(Predicted)
물리적 상태: 결정성 분말 또는 분말
색상: 흰색에서 황백색까지
주요 응용: 펩타이드 합성
InChI: InChI=1/C10H20N2O4/c1-7(8(13)12(5)15-6)11-9(14)16-10(2,3)4/h7H,1-6H3,(H,11,14)/t7-/s3
InChIKey: PWQIGBOSLQHOBT-ZETCQYMHSA-N
SMILES: C(OC(C)(C)C)(=O)N[C@@H](C)C(N(OC)C)=O |&1:8,r|

화학적 성질

White solid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2924297099
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Reduced by LiAlH4 to give the corresponding Boc-amino acid aldehyde.

상·하류 제품 정보

상류 원료

공급사50 곳

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