2-甲氧基-1-萘甲醇 | 40696-22-8

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-甲氧基-1-萘甲醇
• 中文别名: 1-(羟甲基)-2-甲氧基萘
• 英文名称: (2-methoxynaphthalen-1-yl)methanol
• 英文别名: 2-methoxy-1-naphthalenemethanol；(2-methoxy-naphthalene-1-yl)-methanol
• CAS: 40696-22-8
• 化学式: C₁₂H₁₂O₂
• mdl: MFCD00274224
• 分子量: 188.226
• InChiKey: VBHARLNUEDIKQD-UHFFFAOYSA-N

物化性质

• 熔点：
  100-104 °C
• 沸点：
  283.23°C (rough estimate)
• 密度：
  1.0750 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2909499000

SDS

Name:	2-METHOXY-1-NAPHTHALENEMETHANOL Material Safety Data Sheet
Synonym:
CAS:	40696-22-8

Section 1 - Chemical Product MSDS Name:2-METHOXY-1-NAPHTHALENEMETHANOL Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
40696-22-8	2-METHOXY-1-NAPHTHALENEMETHANOL		unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Not available.

---

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

---

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 40696-22-8: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 101 - 102 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 188.23

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 40696-22-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-METHOXY-1-NAPHTHALENEMETHANOL - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 40696-22-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40696-22-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40696-22-8 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-甲氧基-1-萘甲醇 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 以96 %的产率得到1-(氯甲基)-2-甲氧基萘
  参考文献：
  名称：

  Palladium-catalyzed C–H dimethylamination of 1-chloromethyl naphthalenes with N,N-dimethylformamide as the dimethyl amino source

  摘要：

  用 DMF 对 1-氯甲基萘进行远程 C-H 二甲基化。

  DOI：

  10.1039/d3ob00600j
• 作为产物：
  描述：

  2-萘甲醚 在 lithium aluminium tetrahydride 、 三氯氧磷 作用下， 生成 2-甲氧基-1-萘甲醇
  参考文献：
  名称：

  613.有机反应中的氢化物离子。第二部分。在酸存在下，通过苯乙酮与醌反应制备苯乙铵盐

  摘要：

  DOI：

  10.1039/jr9630003295

文献信息

• Surfactant-Type Brønsted Acid Catalyzed Dehydrative Nucleophilic Substitutions of Alcohols in Water
  作者：Seiji Shirakawa、Shū Kobayashi

  DOI：10.1021/ol062813j

  日期：2007.1.1

  A protocol for the dehydrative nucleophilic substitution of benzyl alcohols with a variety of carbon- and heteroatom-centered nucleophiles using dodecylbenzenesulfonic acid (DBSA) as a surfactant-type Bronsted acid catalyst in water has been developed. The reaction system can be applied to the stereoselective C-glycosylation of 1-hydroxy sugars in water. [reaction: see text].

  已经开发出使用十二烷基苯磺酸（DBSA）作为水中的表面活性剂型布朗斯台德酸催化剂，用多种以碳原子和杂原子为中心的亲核试剂对苯甲醇进行脱水亲核取代的方案。该反应系统可以应用于水中1-羟基糖的立体选择性C-糖基化。[反应：请参见文字]。
• [EN] ION CHANNEL ANTAGONISTS/BLOCKERS AND USES THEREOF<br/>[FR] ANTAGONISTES/BLOQUEURS DES CANAUX IONIQUES ET LEURS UTILISATIONS
  申请人：SHANGHAI EAST HOSPITAL

  公开号：WO2021114313A1

  公开（公告）日：2021-06-17

  Provided are ion channel antagonists/blockers and uses thereof. Specifically, it provides the compounds of formula (I) or pharmaceutically acceptable salts, stereoisomers, solvates or prodrugs, preparation method therefor and application thereof. Definition of each group in the formula can be found in the specification for details. Provided is also pharmaceutical composition useful for treatment of heart disease and other ion channel related diseases.

  提供了离子通道拮抗剂/阻断剂及其用途。具体而言，提供了式（I）的化合物或药用盐、立体异构体、溶剂合物或前药，其制备方法及应用。每个式中的各个基团的定义可在说明书中找到详细信息。还提供了用于治疗心脏病和其他离子通道相关疾病的药物组合物。
• Retro-Claisen benzylation: direct use of benzyl alcohols in Pd-catalyzed couplings with nitriles
  作者：Tapan Maji、Kinthada Ramakumar、Jon A. Tunge

  DOI：10.1039/c4cc07001a

  日期：——

  A new strategy has been developed for the benzylation of nitriles directly from benzyl alcohols. In this process benzyl alcohols undergo retro-Claisen activation with cyanoacetic esters to generate an active electrophile and a carbanionic nucleophile. In the presence of Pd(0) these intermediates undergo catalytic coupling to generate a new C-C bond, resulting in the formation of phenyl propionitriles

  已经开发了一种新的策略，用于直接从苄醇进行腈的苄基化。在该方法中，苯甲醇与氰基乙酸酯发生逆向克莱森活化反应，从而生成活性亲电子试剂和碳负离子亲核试剂。在Pd（0）存在下，这些中间体进行催化偶合以生成新的CC键，从而形成苯基丙腈。
• Synthesis of Dendritic Phenol Ether Derivatives with a Naphthalene Core
  作者：Zhonghua Xiang、Derong Cao

  DOI：10.1080/00397910801913980

  日期：2008.4

  Abstract A series of dendritic phenol ether derivatives with a naphthalene core were synthesized by the Williamson reaction as a coupling reaction between 1‐hydroxymethylnaphthalene and polyether‐based dendritic fragments in the presence of phase‐transfer catalyst and alkali. The modified method for chlorination of dendritic benzyl alcohol was also developed using PPh3 and CCl4 as reagents and CH2Cl2/CCl4

  摘要 在相转移催化剂和碱的存在下，1-羟甲基萘与聚醚类树枝状碎片通过威廉姆森反应合成了一系列具有萘核的树枝状苯酚醚衍生物。还以PPh3和CCl4为试剂，CH2Cl2/CCl4为溶剂开发了树枝状苯甲醇氯化的改进方法。
• Zeolite β Induced Rearrangement of Allyl Benzyl Ethers. 6. Variation of the Aromatic Part and Synthesis of Dihydronaphthalene Derivatives
  作者：Johan Wennerberg、Fredrik Ek、Anna Hansson、Torbjörn Frejd

  DOI：10.1021/jo980698n

  日期：1999.1.1

  The zeolite beta induced rearrangement of substituted allyl benzyl ethers to give 4-arylbutanals was investigated with respect to the substituents in the aromatic ring. In some cases the resulting aldehydes cyclized spontaneously to give dihydronaphthalene derivatives. The rearrangement and also the ring closure to dihydronaphthalenes failed or gave poor yields in cases where too weak electron-donating

  关于芳族环中的取代基，研究了β沸石诱导的取代的烯丙基苄基醚的重排以产生4-芳基丁醛。在某些情况下，所得醛类自发环化，生成二氢萘衍生物。在芳环中存在太弱的供电子性取代基的情况下，重排以及对二氢萘的闭环失败或收率不佳。相对于环化的过渡态，沸石的孔径尺寸似乎也很重要。迄今为止，用潜在地能够稳定阳离子中心的其他结构代替苄基部分至今尚未导致成功的重排。

表征谱图