2-メチル-1-インダノン
2-メチル-1-インダノン · 2-メチルインダン-1-オン · 2-メチル-2,3-ジヒドロ-1H-インデン-1-オン · 2-Methyl-2,3-dihydro-1H-inden-1-one · 2-METHYL-INDANONE · 2-METHYL-1-INDANONE · 2-METHYLINDAN-1-ONE · 2-METHYL-1-INDANONE 97%
識別子と物理属性
| CAS No. | 17496-14-9 |
|---|---|
| 分子式 | C10H10O |
| 平均分子量 | 146.19 g/mol |
| 単同位体質量 | 146.07316494 g/mol |
| SMILES | CC1Cc2ccccc2C1=O |
| InChIKey | BEKNOGMQVKBMQN-UHFFFAOYSA-N |
| PubChem CID | 249262 |
| ChEMBL | CHEMBL155191 |
| EC No. | 605-746-6 |
| DTXSID | DTXSID30290210 |
| 現地名 | 2-メチル-1-インダノン |
化学・物理的性質
| XLogP | 2.2 |
|---|---|
| 極性表面積 | 17.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 0 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 174 |
| 融点 | 47-47.5 °C |
| 沸点 | 93-95 °C4 mm Hg(lit.) |
| 密度 | 1.064 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.555(lit.) |
| 引火点 | >230 °F |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | liquid |
| 色 | Yellow |
| InChI | InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3 |
| InChIKey | BEKNOGMQVKBMQN-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)CC1C |
化学的特性
Pale yellow liquid
安全性と法規制
| GHS 分類 | WarningH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| 水環境危害等級（WGK） | 3 |
| 税関コード | 2914390090 |
| 危険文句（R） | 22-36/37/38 |
| 危険表示 | Xi,Xn |
| 安全措置（S） | 23-26-36/37/39-36 |
| 危険等級 | IRRITANT |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
2-Methyl-1-indanone may be used as a starting material in the synthesis of β-benzocycloalkenone. It may be used in the synthesis of the following:cyclohex-2-en-1-yl 2-methyl-1H-inden-3-yl carbonate2-hydroxy-2-methyl-1-indanoneO-alkoxycarbonylation of lithium enolates
一般的な説明
2-Methyl-1-indanone, a α-benzocycloalkenone, is a derivative of 1-indanone. Its synthesis has been reported. The enzymatic dynamic kinetic resolution (DKR) of racemic 2-methyl-1-indanone has been studied. The asymmetric α-arylation and hydroxymethylation of 2-methyl-1-indanone has been reported. It participated in the synthesis of 2-methyl-6-carboxyazulene.