Benzylmaleimide (HCID 74204)

名称と識別子

優先名称: Benzylmaleimide
IUPAC: 1-benzylpyrrole-2,5-dione
現地名: N-ベンジルマレイミド
英語名: N-Benzylmaleimide
分子式: C11H9NO2
分子量: 187.19

名称と別名

N-Benzylmaleimide1631-26-1benzylmaleimideUPL94A7TQHNSC-12802DTXSID50167511RefChem:429764DTXCID9090002216-631-11-benzylpyrrole-2,5-dione1-Benzyl-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-(phenylmethyl)-

名称をさらに表示

N-ベンジルマレイミド1-ベンジル-3-ピロリン-2,5-ジオン1-(ベンジル)-1H-ピロール-2,5-ジオン2,5-ジヒドロ-1-(ベンジル)-1H-ピロール-2,5-ジオンN-ベンジルマレインイミド1-ベンジル-1H-ピロール-2,5-ジオン1-(フェニルメチル)-1H-ピロール-2,5-ジオンNベンジルマレイミドベンジルマレイミドN-ベンジルマレイミド, 99%1-ベンジル-2,5-ジヒドロ-1H-ピロール-2,5-ジオンeimideAKOS 90883AKOS MSC-0016BenzylmaleimidASISCHEM D48963N-BenzylmaleimidTIMTEC-BB SBB003693

N-BENZYL MALEIMIDE1-benzyl-2,5-dihydro-1H-pyrrole-2,5-dioneMFCD000145401-(phenylmethyl)-1h-pyrrole-2,5-dione1-benzylazoline-2,5-dione1-benzyl-pyrrole-2,5-dionen-benzylmaleinimideN-BenzYl-Maleimide

データベース識別子

CAS: 1631-26-1
PubChem CID: 74204
DTXSID: DTXSID50167511
ChEMBL: CHEMBL388979
UNII: UPL94A7TQH
EC Number: 216-631-1
Nikkaji: J195.257I

物性

構造計算による物性

XLogP: 1
極性表面積: 37.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 259

物理化学的性質

融点: 70 °C · 70 °C (lit.)
沸点: 177 °C · 177 °C / 20mmHg
比重(密度): 1 g/cm3 · 1 g/cm3
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: Chloroform (Slightly), Methanol (Slightly)
酸解離定数(Pka): -2.21 · -2.21±0.20(Predicted)
外見: powder to crystal
色: White to Almost white
水溶解度: 不溶性
BRN: 135801 · 135801
InChI: InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey: MKRBAPNEJMFMHU-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)C(=O)C=CC1=O
CAS データベース: 1631 · 1631-26-1(CAS DataBase Reference)
NISTの化学物質情報: N-benzylmaleimide(1631-26-1)

化学的性質

化学的特性off-white to light yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 5 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 CategoriesSkin Corr. 1B (98%)

安全データ

wgk: 3
ridadr: UN 1759 8/PG 2
hs_code: 29251900
risk_code: 34-25-20/21
化審法: (5)-6426
hazard_code: C,T
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用N-Benzylmaleimide is used as plastic additive, Pharmaceutical Intermediates. It is an important raw material intermediate used in organic Synthesis, Pharmaceuticals, Agrochemicals Dyestuff.

一般的な説明N-Benzylmaleimide is an N-substituted maleimide and its microwave-mediated facile and fast synthesis has been described. Radical and anionic copolymerization of N-benzylmaleimide with optically active N-(L-menthoxycarbonylmethyl)maleimide has been reported. Base-catalyzed asymmetric cycloaddition of anthrone with N-benzylmaleimide was studied in the presence of C2-chiral pyrrolidines. Stereoselctive iridium-catalyzed double incorporation reaction of styrene with N-benzylmaleimide affords cyclic product.