4-(N-Boc-아미노)페닐보론산피나콜에스테르

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

HCID 2734617

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 330793-01-6
표준 SMILES: CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: HSJNIOYPTSKQBD-UHFFFAOYSA-N
분자식: C17H26BNO4
평균 분자량: 319.2 g/mol
단동위원소 질량: 319.19548871

이름 및 식별자

우선 이름: 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
현지명: 4-(N-Boc-아미노)페닐보론산피나콜에스테르
영어명: 4-(N-Boc-amino)phenylboronic acid pinacol ester
분자식: C17H26BNO4
분자량: 319.2

이름 및 동의어

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

이름 더 보기

4-(N-Boc-아미노)페닐보론산피나콜에스테르N-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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 56.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 420

물리화학적 성질

녹는점: 167 · 167-170 °C(lit.)
끓는 점: 381.1 · 381.1±25.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 14 · 14.00±0.70(Predicted)
색상: 흰색에서 황백색까지
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

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.