4-N-BOC-아미노페놀

N-Boc-4-hydroxyaniline

HCID 2756771

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 54840-15-2
표준 SMILES: CC(C)(C)OC(=O)Nc1ccc(O)cc1
InChIKey: YRQMBQUMJFVZLF-UHFFFAOYSA-N
분자식: C11H15NO3
평균 분자량: 209.24 g/mol
단동위원소 질량: 209.10519334

이름 및 식별자

우선 이름: N-Boc-4-hydroxyaniline
IUPAC: tert-butyl N-(4-hydroxyphenyl)carbamate
현지명: 4-N-BOC-아미노페놀
영어명: 4-N-Boc-aminophenol
분자식: C11H15NO3
분자량: 209.24

이름 및 동의어

N-Boc-4-hydroxyaniline(4-hydroxyphenyl)carbamic acid tert-butyl esterRefChem:829323628-641-754840-15-24-N-Boc-aminophenoltert-butyl (4-hydroxyphenyl)carbamateTert-butyl N-(4-hydroxyphenyl)carbamatetert-butyl 4-hydroxyphenylcarbamate1,1-Dimethylethyl (4-hydroxyphenyl)carbamateN-Boc-4-aminophenolMFCD00226573

이름 더 보기

4-N-BOC-아미노페놀4-(BOC-AMINO)PHENOLN-BOC-4-HYDROXY ANILINEN-Boc-4-hydroxyaniline,95%N-Boc-4-hydroxyaniline 97%tert-Butyl p-hydroxycarbanilate

N-Boc-4-hydroxy-anilinet-butyl (4-hydroxyphenyl)carbamatet-butyl (4-hydroxyphenyl)-carbamateAC-64364-(1,1-dimethylethoxycarbonylamino)phenol(4-hydroxy-phenyl)-carbamic acid tert-butyl ester4-Butyldicyclohexylanone4-(tert-butoxycarbonylamino)phenol

데이터베이스 식별자

CAS: 54840-15-2
PubChem CID: 2756771
DTXSID: DTXSID20373526
ChEMBL: CHEMBL1797966
EC Number: 628-641-7
Nikkaji: J1.173.021C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 58.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 214

물리화학적 성질

녹는점: 143 · 143-147 °C(lit.)
끓는 점: 288.7 · 288.7±23.0 °C(Predicted)
밀도: 1.182 · 1.182±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 10.13 · 10.13±0.26(Predicted)
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4-7,13H,1-3H3,(H,12,14)
InChIKey: YRQMBQUMJFVZLF-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1=CC=C(O)C=C1

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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38-43
hazard_code: Xi
safety_code: 26-36-36/37
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-(Boc-amino)phenol, is used to protect amine in the solid phase synthesis of peptides, used to produce [4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-carbamic acid tert-butyl ester at ambient temperature. This reaction will need reagent imidazole and solvent dimethylformamide, CH2Cl2.