2-methoxynaphthalene

• ChemBase编号: 110050
• 分子式: C11H10O
• 平均质量: 158.1965
• 单一同位素质量: 158.07316494
• SMILES: COc1ccc2ccccc2c1
• Canonical SMILES: COc1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
• InChIKey: LUZDYPLAQQGJEA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxynaphthalene
• IUPAC传统名: naphthalene, 2-methoxy-
• 别名: 2-甲氧基萘; 2-萘甲醚; 2-萘甲醚; 2-甲氧基萘; 2-Methoxynaphthalene; Methyl 2-naphthyl ether; Nerolin Yara Yara; 2-METHOXYNAPHTHALENE; β-Methoxynaphthalene; β-Methyl naphthyl ether; β-Naphthol methyl ether; Nerolin; Yara yara; Β-Naphthol methyl ether; 2-Naphthol methyl ether; 2-Naphthyl methyl ether; 2-Methoxynaphthalene; 6-Methoxy-2-naphthalene; Methyl β-Naphthyl Ether; NSC 4171; β-Naphthyl Methyl Ether

登记号

• CAS号: 34068; 93-04-9
• EC号: 202-213-6
• MDL号: MFCD00004061
• Beilstein号: 1859408
• 默克索引号: 145997
• PubChem SID: 162095558; 24848894; 24902102
• PubChem CID: 7119
• Chemspider ID: 6852
• 维基百科标题: Β-Naphthol_methyl_ether
• Flavis Number: 4.074

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.8050513
• LogD (pH = 7.4): 2.8050513
• Log P: 2.8050513
• 摩尔折射率: 48.9714 cm^3
• 极化性: 20.469223 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: flakes; powder
• 熔点: 70-73 °C(lit.); 70-75°C
• 沸点: 272-274°C; 274 °C(lit.)
• 闪点: ca 139°C(282°F)
• 密度: 1.064 g/mL at 25 °C(lit.)
• 感官: blossom; sweet; floral; strawberry; sweet

安全信息

• RTECS编号: QJ9468750
• 德国WGK号: 2
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... CYP1A2(1544)

产品相关信息

• 纯度: ≥99%; 95+%; 98%; 99%
• 级别: Kosher
• 生物来源: from synthetic
• 原产地: China origin
• 线性分子式: C10H7OCH3

详细说明

MP Biomedicals - 05213527

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W525308

包装
1 kg in poly bottle
1 sample in glass bottle
10, 25 kg in fiber drum

Sigma Aldrich - 148245

包装
100 g in poly bottle

Sigma Aldrich - W509000

Features and Benefits
浓郁的甜味、花香味、轻淡的橙花味

Toronto Research Chemicals - M264685

2-Methoxynaphthalene is an impurity of the non-steroidal anti-inflammatory Naproxen (N377525).

参考文献

• Castelli, F. et al.: Int. J. Phamac., 184, 21 (1999)
• Dong, X. et al.: Hun. Huag., 29, 59 (1999)
• The 3-lithio-derivative (n-BuLi) has been reacted with electrophiles, e.g. allyl bromide, ethylene oxide, etc.: Chem. Ind. (London), 1529 (1963); Indian J. Chem., 7, 536 (1969).
• For Friedel-Crafts acylation at the 6-position, see: Org. Synth. Coll., 6, 34 (1988). For conditions for minimizing the competing 1-acylation, see: Synth. Commun., 20, 383 (1990).