CAS 550-44-7 N-Methylphthalimide (HCID 11074)

名称と識別子

優先名称: N-Methylphthalimide
IUPAC: 2-methylisoindole-1,3-dione
現地名: N-メチルフタルイミド
英語名: N-Methylphthalimide
分子式: C9H7NO2
分子量: 161.16

名称と別名

N-Methylphthalimide550-44-7Phthalimide, N-methyl-1H-Isoindole-1,3(2H)-dione, 2-methyl-N-methyl phthalimideEINECS 208-982-42-methyl-isoindole-1,3-dioneDTXSID5027198NSC 44059NSC-44059BRN 0124428AI3-01393

名称をさらに表示

N-メチルフタルイミド2-メチル-1H-イソインドール-1,3(2H)-ジオン2-メチルイソインドリン-1,3-ジオン2-メチル-2H-イソインドール-1,3-ジオン2-メチル-1,3-ジヒドロ-2H-イソインドール-1,3-ジオン2-メチル-2,3-ジヒドロ-1H-イソインドール-1,3-ジオンMETHYL PHTHALIMIDET56 BVNVJ C1n-methyl-phthalimidPHTHALIMIDE-N-METHYLN-Methylphthalimide>MethylisoindolinedioneRivaroxaban Impurity 202-Methyl-1H-isoindole-1

647UP45J2U5-21-10-00273 (Beilstein Handbook Reference)DTXCID807198RefChem:830764208-982-42-Methylisoindoline-1,3-dione2-methylisoindole-1,3-dioneMFCD00023063

データベース識別子

CAS: 550-44-7
PubChem CID: 11074
DTXSID: DTXSID5027198
ChEMBL: CHEMBL172614
UNII: 647UP45J2U
EC Number: 208-982-4
Nikkaji: J1.112.734G、J113.035H

物性

構造計算による物性

XLogP: 1.3
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: 0
重原子数: 12
形式電荷: 0
複雑度: 213

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

LogP1.31

Physical DescriptionDry Powder

Collision Cross Section129.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5027198]

物理化学的性質

融点: 129 · 129-132 °C (lit.)
沸点: 286.05 °C · 286.05°C
比重(密度): 1.2443 · 1.2443 (rough estimate)
屈折率: 1.45 · 1.4500 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO（微量）、メタノール（微量）
酸解離定数(Pka): -2.09 · -2.09±0.20(Predicted)
外見: 個体
色: ホワイトからオフホワイト
BRN: 124428 · 124428
InChI: InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey: ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1C
CAS データベース: 550 · 550-44-7(CAS DataBase Reference)
NISTの化学物質情報: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-methyl-(550-44-7)
EPAの化学物質情報: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-methyl- (550-44-7)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (98.6%): 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 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 1 件

1H-Isoindole-1,3(2H)-dione, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Isoindole-1,3(2H)-dione, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesSkin Irrit. 2 (98.6%)

安全データ

wgk: 1
tsca: TSCA listed
rtecs: TI5602700
hs_code: 29251900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2023: 7,800,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

1H-Isoindole-1,3(2H)-dione, 2-methyl-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用Photoreduction of N-methylphthalimide (NMP) with 2,3-dimethyl-2-butene h and the selective electroreduction of N-methylphthalimide to 3-hydroxy-2-methyl-isoindolin-1-one have been studied.

一般的な説明Photoreduction of N-methylphthalimide (NMP) with 2,3-dimethyl-2-butene has been studied. The selective electroreduction of N-methylphthalimide to 3-hydroxy-2-methyl-isoindolin-1-one in ionic liquids and phenol as a proton donor under silent and ultrasonic conditions has been reported. Single electron transfer (SET)-induced photochemical reaction of NMP with silyl enol ether has been investigated. Nitration of NMP is reported to afford “exclusively” 3-nitro-derivative.