N, N- 디 페닐 -4- (4,4,5,5- 테트라 메틸 -1,3,2- 디 옥사 보 롤란 -2- 일) 아닐린

Diphenyl-(4-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-amine

HCID 11639307CAS 267221-88-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)OB(c2ccc(N(c3ccccc3)c3ccccc3)cc2)OC1(C)C
InChIKey: VKSWIFGDKIEVFZ-UHFFFAOYSA-N
분자식: C24H26BNO2
평균 분자량: 371.3 g/mol
단동위원소 질량: 371.20565947

이름 및 식별자

우선 이름: Diphenyl-(4-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-amine
IUPAC: N,N-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
현지명: N, N- 디 페닐 -4- (4,4,5,5- 테트라 메틸 -1,3,2- 디 옥사 보 롤란 -2- 일) 아닐린
영어명: N,N-Diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
분자식: C24H26BNO2
분자량: 371.28

이름 및 동의어

Diphenyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amineDiphenyl-(4-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-amineRefChem:588867805-569-6267221-88-5N,N-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline4-(Diphenylamino)phenylboronic acid pinacol esterMFCD131957704-(Diphenylamino)benzeneboronic acid pinacol esterDiphenyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]amineSY1018724-(Diphenylamino)phenylboronic acid pinacol ester, 95%

이름 더 보기

N,N-디페닐-4-(4,4,5,5-테트라메틸-1,3,2-디옥사보롤란-2-일)아닐린Triphenylamine-4-boronic Acid Pinacol Ester4-Boronic acid triphenylamine pinacol ester4-(diphenylamino)phenylboronic pinacol ester4-(Diphenylamino)phenylboronic acid, pinacol esterN,N-Diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl-N-phen[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]diphenylamine

SCHEMBL1702020DTXSID40469874VKSWIFGDKIEVFZ-UHFFFAOYSA-N2-[4-(Diphenylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneAKOS016339779AS-2448DA-07515CS-0130477

데이터베이스 식별자

CAS: 267221-88-5
PubChem CID: 11639307
DTXSID: DTXSID40469874
EC Number: 805-569-6
Nikkaji: J1.286.339J

물성

구조 계산 물성

극성 표면적: 21.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 28
형식 전하: 0
복잡도: 469

물리화학적 성질

녹는점: 93 · 93-98 °C
끓는 점: 495.8 · 495.8±28.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): -3.32 · -3.32±0.60(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C24H26BNO2/c1-23(2)24(3,4)28-25(27-23)19-15-17-22(18-16-19)26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,1-4H3
InChIKey: VKSWIFGDKIEVFZ-UHFFFAOYSA-N
SMILES: C1(N(C2=CC=CC=C2)C2=CC=CC=C2)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2931900090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도4-(Diphenylamino)phenylboronic acid pinacol ester may be used to synthesize 4-(2,2′ -bithiophen-5-yl)- 5-phenylpyrimidine for potential usage in the development of sensing devices for the detection of nitroaromatic explosives. It can also be used in the synthesis of oligothiophene (electron donating group) for the fabrication of dye sensitized solar cells (DSSCs).

일반 설명4-(Diphenylamino)phenylboronic acid pinacol ester is an aryl boronic acid ester that is majorly used in organic synthesis. It can be used in the transition metal-catalyzed Suzuki-Miyaura cross-coupling reaction due to its low toxicity and unique reactivity. It is an electron rich boronic acid ester that can also be used in protodeboronation.