5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

HCID 2756555

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 827614-64-2
표준 SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C
InChIKey: YFTAUNOLAHRUIE-UHFFFAOYSA-N
분자식: C11H17BN2O2
평균 분자량: 220.08 g/mol
단동위원소 질량: 220.13830818

이름 및 식별자

우선 이름: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
영어명: 2-Aminopyridine-5-boronic acid, pinacol ester
분자식: C11H17BN2O2
분자량: 220.08

이름 및 동의어

827614-64-25-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amineDTXSID20373420RefChem:101682DTXCID20324452628-581-12-Aminopyridine-5-boronic acid pinacol ester2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineMFCD056638375-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amineC11H17BN2O25-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine

이름 더 보기

2-Aminopyridine-5-boronic acid2-dioxaborolan-2-yl)pyridin-2-aMine6-AMINOPYRIDINE-3-BORONIC ACID PINACOL ESTER(2-Aminopyridin-5-yl)boronic acid pinacol ester(6-AMINOPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER2-AMinopyridine-5-boronic acid pinacol ester 97%6-Aminopyridine-3-boronic acid, pinacol ester 95%

2-aminopyridine-5-boronic acid, pinacol esterGS-63275-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-ylamine5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ylamine2-Pyridinamine, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-BCP10062FT-0647397SCHEMBL183601

데이터베이스 식별자

CAS: 827614-64-2
PubChem CID: 2756555
DTXSID: DTXSID20373420
EC Number: 628-581-1
Nikkaji: J2.447.056C

물성

구조 계산 물성

극성 표면적: 57.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 131 · 131-135 °C(lit.)
끓는 점: 146 °C/0.3mm · 146°C/0.3mm
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: solid
산도 계수 (pKa): 7.03 · 7.03±0.26(Predicted)
수용성: 물에 불용성.
InChI: InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3,(H2,13,14)
InChIKey: YFTAUNOLAHRUIE-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Aminopyridine-5-boronic acid, pinacol ester can be used in a microwave-assisted, four-component coupling process leading to amino substituted imidazopyridines.