메틸-[4-(4,4,5,5-테트라메틸-[1,3,2]디옥사보롤란-2-일)-페닐]-카르밤산tert-부틸에스테르

tert-Butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate

HCID 4712653CAS 916587-44-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: MWNMXMKLILKYOS-UHFFFAOYSA-N
분자식: C18H28BNO4
평균 분자량: 333.2 g/mol
단동위원소 질량: 333.21113878

이름 및 식별자

우선 이름: tert-Butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
IUPAC: tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
현지명: 메틸-[4-(4,4,5,5-테트라메틸-[1,3,2]디옥사보롤란-2-일)-페닐]-카르밤산tert-부틸에스테르
영어명: Methyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-carbamic acid tert-butyl ester
분자식: C18H28BNO4
분자량: 333.23

이름 및 동의어

916587-44-5tert-Butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamateTert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamatetert-Butyl-N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateMFCD034904984-(tert-butoxycarbonyl-n-methylamino)phenylboronic acid, pinacol ester4-(BOC-Methylamino)phenylboronic acid, pinacol ester(4-boc-n-methyl-aminophenyl)boronic acid pinacol esterTERT-BUTYL METHYL[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]CARBAMATEmethyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-carbamic acid tert-butyl esterSCHEMBL484122DTXSID60405739

이름 더 보기

메틸-[4-(4,4,5,5-테트라메틸-[1,3,2]디옥사보롤란-2-일)-페닐]-카르밤산tert-부틸에스테르4-(BOC-Methylamino)phenylboronic acid,pinacol ester4-(Methylamino)benzeneboronic acid, pinacol ester, N-BOC protectedt-Butyl-n-methyl-n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateCarbamic acid, N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester2-{4-[(tert-Butoxycarbonyl)(methyl)amino]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, tert-Butyl methyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

AKOS015960061AB15546FS-5508tert-butyl N-methyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateDA-40565SY065748CS-0174617E78310

데이터베이스 식별자

CAS: 916587-44-5
PubChem CID: 4712653
DTXSID: DTXSID60405739
EC Number: 671-696-7
Nikkaji: J3.521.358I

물성

구조 계산 물성

극성 표면적: 48 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 24
형식 전하: 0
복잡도: 448

물리화학적 성질

녹는점: 83 · 83-84 °C
끓는 점: 421.6 · 421.6±28.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -0.2 · -0.20±0.50(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.