[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]ジフェニルアミン

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

HCID 11639307CAS 267221-88-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1(C)OB(c2ccc(N(c3ccccc3)c3ccccc3)cc2)OC1(C)C
InChIKey: VKSWIFGDKIEVFZ-UHFFFAOYSA-N
分子式: C24H26BNO2
平均分子量: 371.3 g/mol
単同位体質量: 371.20565947

名称と識別子

優先名称: 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
現地名: [4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]ジフェニルアミン
英語名: N,N-Diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
分子式: C24H26BNO2
分子量: 371.28

名称と別名

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%

名称をさらに表示

[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]ジフェニルアミンN,N-ジフェニル-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)アニリン4-(ジフェニルアミノ)フェニルボラン酸2,3-ジメチル-2,3-ブタンジイルジフェニル[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]アミン4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-N,N-ジフェニルアニリンN-[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]ジフェニルアミン2-[4-(ジフェニルアミノ)フェニル]-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン4-(ジフェニルアミノ)フェニルボロン酸2,3-ジメチル-2,3-ブタンジイル2-((ニトリロトリベンゼン)-4-イル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロランTriphenylamine-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

データベース識別子

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

物性

構造計算による物性

極性表面積: 21.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 28
形式電荷: 0
複雑度: 469

物理化学的性質

融点: 93 · 93-98 °C
沸点: 495.8 · 495.8±28.0 °C(Predicted)
比重(密度): 1.12 · 1.12±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder to crystal
酸解離定数(Pka): -3.32 · -3.32±0.60(Predicted)
色: White to Light yellow
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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)

安全データ

wgk: WGK 3
hs_code: 2931900090
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用4-(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).

一般的な説明4-(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.