1-メトキシナフタレン
1-メトキシナフタレン · 4-メトキシナフタレン · メチル-1-ナフチルエーテル · α-メトキシナフタレン · メチルα-ナフチルエーテル · １メトキシナフタレン · メチル1-ナフチルエーテル · メチル(1-ナフチル)エーテル
識別子と物理属性
| CAS No. | 2216-69-5 |
|---|---|
| 分子式 | C11H10O |
| 平均分子量 | 158.2 g/mol |
| 単同位体質量 | 158.07316494 g/mol |
| SMILES | COc1cccc2ccccc12 |
| InChIKey | NQMUGNMMFTYOHK-UHFFFAOYSA-N |
| PubChem CID | 16668 |
| EC No. | 218-696-1 |
| DTXSID | DTXSID5062263 |
| 現地名 | 1-メトキシナフタレン |
化学・物理的性質
| XLogP | 3.6 |
|---|---|
| 極性表面積 | 9.2 |
| 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 | 1 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 144 |
| Kovats Retention Index | 1403143421352143 |
| 融点 | 5 °C |
| 沸点 | 135-137 °C/12 mmHg (lit.) |
| 密度 | 1.09 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.621(lit.) |
| 引火点 | >230 °F |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 溶解度 | クロロホルム、メタノール混和しない |
| 外観・状態 | 油 |
| 色 | 無色透明～黄色 |
| 比重 | 1.1 |
| BRN | 7748884 |
| InChI | 1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 |
| InChIKey | NQMUGNMMFTYOHK-UHFFFAOYSA-N |
| SMILES | COc1cccc2ccccc12 |
| LogP（分配係数） | 3.450 |
| CAS データベース | 2216-69-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Naphthalene, 1-methoxy-(2216-69-5) |
| EPAの化学物質情報 | Naphthalene, 1-methoxy- (2216-69-5) |
化学的特性
1-Methoxynaphthalene is an isomer of methoxynaphthalene. It is clear light yellow to brown liquid that aroma is not as good as 2-methoxynaphthalene. Insoluble in water, soluble in ethanol, ether, benzene and chloroform.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.H411 (20%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.There is 1 notification provided by 1 of 5 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Naphthalene, 1-methoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 16-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21479Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Aquatic Chronic 2 (20%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | QJ9465500 |
| 輸送番号（UN） | UN 3082 9/PG III |
| 税関コード | 29093090 |
| 化審法 | (4)-361 |
| 消防法 | 危-4-3-III |
| 安全措置（S） | 23-24/25 |
| 危険等級 | 9 |
| 包装等級 | III |
| 貯蔵分類 | 10 - Combustible liquids |
用途
用途
有機合成原料。
使用
1-Methoxynaphthalene is used in the study of peroxygenase activity of cytochrome c peroxidase. It is used as a precursor to synthesize prenyl naphthalene-ols, which shows antioxidative activity. It is also used in organic synthesis, pesticides, perfumes for making soaps, and film developers.
一般的な説明
1-Methoxynaphthalene, a methoxyphenolic compound, is a naphthalene derivative that finds application as a precursor for the preparation of pharmaceutical drugs, and also as a therapeutic agent.
製法・合成法
製造方法
1-Methoxynaphthalene can be obtained by methylating 1-naphthol, and the methylating reagent can be selected from methyl trifluoroacetate, dimethyl carbonate and dimethyl sulfate.
純化方法
Steam distil the ether from alkaline solution. The distillate is extracted with Et2O. After drying (MgSO4) the extract and evaporating Et2O, the methyl naphthyl ether is then fractionated under reduced pressure from CaH2. The picrate has m 129.5-130.5o (from EtOH). [Beilstein 6 IV 4211.]