1-((Tert-butoxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

HCID 335255

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13726-69-7
표준 SMILES: CC(C)(C)OC(=O)N1CC(O)CC1C(=O)O
InChIKey: BENKAPCDIOILGV-UHFFFAOYSA-N
분자식: C10H17NO5
평균 분자량: 231.25 g/mol
단동위원소 질량: 231.11067264

이름 및 식별자

우선 이름: 1-((Tert-butoxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
IUPAC: 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
영어명: 1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
분자식: C10H17NO5
분자량: 231.25

이름 및 동의어

40350-82-11-[(tert-butoxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid1-((Tert-butoxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acidRefChem:419073962-279-31-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acidBoc-trans-4-Hydroxy-D-proline1-(tert-butoxycarbonyl)-4-hydroxy-2-pyrrolidinecarboxylic acidBoc-trans-4-hydroxy-L-proline4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl esterboc-cis-4-hydroxy-l-prolineBoc-L-trans-4-hydroxyproline

이름 더 보기

N-Boc-4-hydroxy-proline1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) ester

NSC-3437201-(tert-Butoxycarbonyl)-4-hydroxyprolineNSC3437201-Boc-4-hydroxypyrrolidine-2-carboxylic AcidOprea1_816854(2S,4R)-1-tert-Butyl 4-hydroxy-1,2-pyrrolidinecarboxylateSCHEMBL193111(2R,4S)-1-rel-(tert-Butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

데이터베이스 식별자

CAS: 13726-69-7、40350-82-1
PubChem CID: 335255
DTXSID: DTXSID40929761
EC Number: 962-279-3

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 87.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 296

물리화학적 성질

끓는 점: 390.9 · 390.9±42.0 °C(Predicted)
밀도: 1.312 · 1.312±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.8 · 3.80±0.40(Predicted)

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도1-(Tert-butoxycarbonyl)-4-hydroxy-2-pyrrolidinecarboxylic acid is used as a reactant in the preparation of (pro-hyp-gly)n of defined molecular weights.