메틸4-보로노벤조에이트

4-Methoxycarbonylphenylboronic acid

HCID 2734369

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 99768-12-4
표준 SMILES: COC(=O)c1ccc(B(O)O)cc1
InChIKey: PQCXFUXRTRESBD-UHFFFAOYSA-N
분자식: C8H9BO4
평균 분자량: 179.97 g/mol
단동위원소 질량: 180.05938917

이름 및 식별자

우선 이름: 4-Methoxycarbonylphenylboronic acid
IUPAC: (4-methoxycarbonylphenyl)boronic acid
현지명: 메틸4-보로노벤조에이트
영어명: 4-(METHOXYCARBONYL)PHENYLBORONIC ACID
분자식: C8H9BO4
분자량: 179.97

이름 및 동의어

4-Methoxycarbonylphenylboronic acid4-(Methoxycarbonyl)phenylboronic acidRefChem:524769619-459-999768-12-4Methyl 4-boronobenzoate(4-(Methoxycarbonyl)phenyl)boronic acid(4-Methoxycarbonylphenyl)boronic acid4-(Methoxycarbonyl)benzeneboronic Acid[4-(methoxycarbonyl)phenyl]boronic acidMFCD016322034-(methoxycabonyl)phenylboronic acid

이름 더 보기

메틸4-보로노벤조에이트Blueberry extract anthocyaninAKOS BRN-0122RARECHEM AH PB 0115Methyl 4-boronobenzo4-methoxybenzoborateMethyl p-boronobenzoate4-Methoxycarbonylphenylboronicp-(Methoxycarbonyl)boronic acid

4-carbomethoxyphenylboronic acidp-(methoxycarbonyl)phenylboronic acid4-methoxycarbonyl phenyl boronic acidCHEMBL18241694-Methoxycarbonylbenzeneboronic acid(4-(Methoxycarbonyl)phenyl)boronicacidAS-2263M1907

데이터베이스 식별자

CAS: 99768-12-4
PubChem CID: 2734369
DTXSID: DTXSID40370259
ChEMBL: CHEMBL1824169
EC Number: 619-459-9
Nikkaji: J806.560H

물성

구조 계산 물성

극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 175

물리화학적 성질

녹는점: 197 · 197-200 °C (lit.)
끓는 점: 345.8 · 345.8±44.0 °C(Predicted)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됩니다.
물리적 상태: 가루
산도 계수 (pKa): 7.69 · 7.69±0.10(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3
InChIKey: PQCXFUXRTRESBD-UHFFFAOYSA-N
SMILES: C1=CC(C(OC)=O)=CC=C1B(O)O

화학적 성질

White to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): 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 16 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-(Methoxycarbonyl)phenylboronic Acid is a reagent used for• ;Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence1 • ;Copper-mediated ligandless aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides2 • ;One-pot ipso-nitration of arylboronic acids3 • ;Copper-catalyzed nitration4 • ;Cyclocondensation followed by palladium-phosphine-catalyzed Suzuki-Miyaura coupling5 • ;Reagent used in Preparation of• ;Biaryls via nickel-catalyzed Suzuki-Miyaura cross-coupling reaction of aryl halides with arylboronic acid6† • ;Chromenones and their

상·하류 제품 정보

상류 원료

붕산트리메틸 질소 4-브로모톨루엔 테트라하이드로푸란 과망간산칼륨 메틸알콜 마그네슘 보릭산트리이소프로필에스테르 트리부틸 보레이트 Methyl 4-bromobenzoate

하류 제품

Momelotinib METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE 4,6-Di(4-carboxyphenyl)pyrimidine 4-(4-N-BUTYLPHENYL)벤조산 비페닐-3,4',5-트리카르복실산 Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 4-(3-메톡시피리딘-2-일)벤조산 4-(2-아미노페닐)벤질알코올 메틸4-(4-히드록시메틸페닐)벤조에이트

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

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