N-Boc-4-hydroxyaniline

HCID 2756771CAS 54840-15-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)Nc1ccc(O)cc1
InChIKey: YRQMBQUMJFVZLF-UHFFFAOYSA-N
Summenformel: C11H15NO3
Durchschnittliche Molmasse: 209,24 g/mol
Monoisotopische Masse: 209,10519334

Namen und Bezeichner

Bevorzugter Name: N-Boc-4-hydroxyaniline
IUPAC: tert-butyl N-(4-hydroxyphenyl)carbamate
Englischer Name: 4-N-Boc-aminophenol
Summenformel: C11H15NO3
Molmasse: 209.24

Namen und Synonyme

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

Weitere Namen anzeigen

4-(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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 58,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 214

Physikochemische Eigenschaften

Schmelzpunkt: 143 · 143-147 °C(lit.)
Siedepunkt: 288.7 · 288.7±23.0 °C(Predicted)
Dichte: 1.182 · 1.182±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 10.13 · 10.13±0.26(Predicted)
Wasserlöslichkeit: Slightly soluble in water.
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
CAS Datenbank: 54840 · 54840-15-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(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.