BOC-L-3,5-디플루오로페

3,5-Difluoro-L-phenylalanine, N-BOC protected

HCID 2779009

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 205445-52-9
표준 SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)O
InChIKey: CZBNUDVCRKSYDG-NSHDSACASA-N
분자식: C14H17F2NO4
평균 분자량: 301.29 g/mol
단동위원소 질량: 301.11256446

이름 및 식별자

우선 이름: 3,5-Difluoro-L-phenylalanine, N-BOC protected
IUPAC: (2S)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
현지명: BOC-L-3,5-디플루오로페
영어명: Boc-L-3,5-difluorophe
분자식: C14H17F2NO4
분자량: 301.29

이름 및 동의어

3,5-DIFLUORO-L-PHENYLALANINE, N-BOC PROTECTEDN-((1,1-Dimethylethoxy)carbonyl)-3,5-difluoro-L-phenylalanineN-[(1,1-Dimethylethoxy)carbonyl]-3,5-difluoro-L-phenylalanineRefChem:486839606-578-6205445-52-9BOC-3,5-DIFLUORO-L-PHENYLALANINEBoc-L-3,5-DifluorophenylalanineBOC-PHE(3,5-DIF)-OHN-BOC-3,5-DIFLUORO-L-PHENYLALANINEBOC-PHE(3,5-F2)-OH(S)-N-Boc-3,5-difluorophenylalanine

이름 더 보기

BOC-L-3,5-디플루오로페BOC-PHE(M-F2)-OHBoc-Phe(3,5-F?)-OHBOC-PHE(3,5-F 2)-OHBoc-L-Phe(3,5-DiF)-OHBoc-L-3,5-Difluoro-phe-OH

N-BOC-L-3,5-DIFLUOROPHENYLALANINEMFCD00797555(2S)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidPhenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-Boc-3,5-difluoro-D-phenylalanine(S)-2-((tert-Butoxycarbonyl)amino)-3-(3,5-difluorophenyl)propanoic acidBOC-L-3,5-DIFLUOROPHE

데이터베이스 식별자

CAS: 205445-52-9
PubChem CID: 2779009
DTXSID: DTXSID40942718
EC Number: 606-578-6

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 21
형식 전하: 0
복잡도: 374

물리화학적 성질

녹는점: 115 ℃ · 115℃
끓는 점: 417.6 · 417.6±45.0 °C(Predicted)
밀도: 1.27 · 1.270±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 3.73 · 3.73±0.10(Predicted)
색상: 하얀색
주요 응용: 펩타이드 합성
InChI: InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKey: CZBNUDVCRKSYDG-NSHDSACASA-N
SMILES: C(O)(=O)[C@H](CC1=CC(F)=CC(F)=C1)NC(OC(C)(C)C)=O

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.