2-(BOC-아미노)-4-메틸페닐보론산,피나콜

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

HCID 46737997

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1150561-75-3
표준 SMILES: Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)OC(C)(C)C)c1
InChIKey: WVTNHPZOSNRLET-UHFFFAOYSA-N
분자식: C18H28BNO4
평균 분자량: 333.2 g/mol
단동위원소 질량: 333.21113878

이름 및 식별자

우선 이름: tert-Butyl (5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
IUPAC: tert-butyl N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
현지명: 2-(BOC-아미노)-4-메틸페닐보론산,피나콜
영어명: 2-(BOC-Amino)-4-methylphenylboronic acid,pinacol
분자식: C18H28BNO4
분자량: 333.23

이름 및 동의어

1150561-75-3tert-Butyl (5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamatetert-butyl N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateMFCD11044437Carbamic acid, N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl estertert-Butyl [5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate2-(Boc-amino)-4-methylphenylboronic acid pinacol ester2-(TERT-BUTOXYCARBONYLAMINO)-4-METHYLPHENYLBORONIC ACID, PINACOL ESTERSCHEMBL1062259DTXSID50674154WVTNHPZOSNRLET-UHFFFAOYSA-NAKOS015960319

이름 더 보기

2-(BOC-아미노)-4-메틸페닐보론산,피나콜2-(BOC-AMINO)-4-METHYLPHENYLBORONIC ACID2-(BOC-Amino)-4-methylphenylboronic acid,pinacol2-(BOC-Amino)-4-methylphenylboronic acid, pinacol ester2-(tert-Butoxycarbonylamino)-4-methylphenylboronic acid pinacol ester

SB83442tert-butyl 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamateCS-04413182-(tert-Butoxycarbonylamino)-4-methylphenylboronic acid pinacol ester, AldrichCPRtert-Butyl(5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate

데이터베이스 식별자

CAS: 1150561-75-3
PubChem CID: 46737997
DTXSID: DTXSID50674154
EC Number: 691-137-0

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: 24
형식 전하: 0
복잡도: 456

물리화학적 성질

저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C18H28BNO4/c1-12-9-10-13(19-23-17(5,6)18(7,8)24-19)14(11-12)20-15(21)22-16(2,3)4/h9-11H,1-8H3,(H,20,21)
InChIKey: WVTNHPZOSNRLET-UHFFFAOYSA-N
SMILES: CC(O1)(C)C(C)(C)OB1C2=C(NC(OC(C)(C)C)=O)C=C(C)C=C2

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, 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.