tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

HCID 2734617

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Grundinformationen

CAS: 330793-01-6
Standard-SMILES: CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: HSJNIOYPTSKQBD-UHFFFAOYSA-N
Summenformel: C17H26BNO4
Durchschnittliche Molmasse: 319,2 g/mol
Monoisotopische Masse: 319,19548871

Namen und Bezeichner

Bevorzugter Name: tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
IUPAC: tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Englischer Name: 4-(N-Boc-amino)phenylboronic acid pinacol ester
Summenformel: C17H26BNO4
Molmasse: 319.2

Namen und Synonyme

tert-Butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamatetert-butyl N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamateRefChem:896050671-693-0330793-01-6tert-Butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate4-(N-Boc-amino)phenylboronic acid pinacol ester4-(boc-amino)benzeneboronic acid pinacol esterMFCD021794394-boc-aminophenylboronic acid, pinacol ester4-(Boc-amino)phenylboronic acid pinacol estertert-butyl N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

Weitere Namen anzeigen

N-Boc-4-aminophenylboronic acid pinacol ester4-BUTSKL693[4-(4,4,5tert-Butyl-N-[4-(42-dioxaborolan-2-yl)phenyl]carbaMate4-n-boc-phenylboronic acid pinacol estertert-Butyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-4-(Boc-aMino)benzenboronic acid pinacol ester4-(tert-Butoxycarbonylamino)benzeneboronicacid

tert-Butyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateDTXSID60370397tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamatetert-Butyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-carbamateCS-W000913AB111344-(tert-butoxycarbonylamino)phenylboronic acid pinacol ester(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)BORONIC ACID PINACOL ESTER

Datenbank-Bezeichner

CAS: 330793-01-6
PubChem CID: 2734617
DTXSID: DTXSID60370397
EC Number: 671-693-0
Nikkaji: J2.079.579D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 56,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 23
Formalladung: 0
Komplexität: 420

Physikochemische Eigenschaften

Schmelzpunkt: 167 · 167-170 °C(lit.)
Siedepunkt: 381.1 · 381.1±25.0 °C(Predicted)
Dichte: 1.07 · 1.07±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
pka: 14 · 14.00±0.70(Predicted)
Farbe: White to off-white
InChI: InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)
InChIKey: HSJNIOYPTSKQBD-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
CAS Datenbank: 330793 · 330793-01-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.