N-tert-Butoxycarbonyl-L-aspartic acid beta-benzyl ester

HCID 1581888

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7536-58-5
표준 SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O
InChIKey: SOHLZANWVLCPHK-LBPRGKRZSA-N
분자식: C16H21NO6
평균 분자량: 323.34 g/mol
단동위원소 질량: 323.13688739

이름 및 식별자

우선 이름: N-tert-Butoxycarbonyl-L-aspartic acid beta-benzyl ester
IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
영어명: Boc-L-aspartic acid 4-benzyl ester
분자식: C16H21NO6
분자량: 323.34

이름 및 동의어

7536-58-5DTXSID40884402L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) esterN-tert-Butoxycarbonyl-L-aspartic acid beta-benzyl esterL-Aspartic acid, N-((1,1-dimethylethoxy)carbonyl)-, 4-(phenylmethyl) esterRefChem:1092106DTXCID401023843Boc-Asp(OBzl)-OHBoc-L-aspartic acid 4-benzyl esterBoc-L-Asp(OBzl)-OH(2S)-4-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid(S)-4-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid

이름 더 보기

BOC-ASP(OBZL)BOC-L-ASP(OBZL)3oc-Asp(OBzI)-0HBoc-Asp(OBzI)-OHBOC-L-ASP(BZL)-OHL-Boc-Asp(OBzl)-OH

MFCD00065564N-Boc-L-aspartic Acid 4-Benzyl EsterN-(tert-Butoxycarbonyl)-L-aspartic acid 4-benzyl esterBoc-L-Asp(OBn)-OHBoc-L-Aspartic acid-4-benzyl ester(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acidAspartic acid, N-carboxy-, 4-benzyl N-tert-butyl ester, L-(2S)-4-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid

데이터베이스 식별자

CAS: 7536-58-5
PubChem CID: 1581888
DTXSID: DTXSID40884402
ChEMBL: CHEMBL1299590
UNII: LQ5UR33F4Q
EC Number: 231-406-8
Nikkaji: J276.799F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 102 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 9
무거운 원자 수: 23
형식 전하: 0
복잡도: 423

물리화학적 성질

녹는점: 98 · 98-102 °C(lit.)
끓는 점: 461.82 °C · 461.82°C (rough estimate)
밀도: 1.1728 · 1.1728 (rough estimate)
굴절률: -20 ° · -20 ° (C=2, DMF)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: almost transparency in N,N-DMF
산도 계수 (pKa): 3.65 · 3.65±0.23(Predicted)
물리적 상태: 가루
색상: 흰색에서 황백색까지
BRN: 2064127 · 2064127
주요 응용: 펩타이드 합성
InChI: InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1
InChIKey: SOHLZANWVLCPHK-LBPRGKRZSA-N
SMILES: C(O)(=O)[C@H](CC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O
EPA: N-tert-Butoxycarbonyl-L-aspartic acid .beta.-benzyl ester (7536-58-5)

화학적 성질

white to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2924 29 70
safety_code: 22-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationL-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester: INACTIVE

응용 분야

용도N-[(1,1-Dimethylethoxy)carbonyl]-L-Aspartic acid 4-(Phenylmethyl) Ester is L-Aspartic Acid (A790024) with side chain and N-terminus protected. L-Aspartic Acid is a non-essential amino acid found in food sources.

상·하류 제품 정보

상류 원료

하류 제품

NW-09-15-1 (S)-Benzyl 3-((tert-butoxycarbonyl)amino)-4-fluoro-4-oxobutanoate (Tert-Butoxy)Carbonyl N-Me-Asp(Obzl)-OH

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

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

화합물 노트

불러오는 중…