2-溴甲基苯甲酸甲酯 | 2417-73-4

• 物质功能分类: 化学试剂 - 有机试剂 - 芳烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-溴甲基苯甲酸甲酯
• 中文别名: 邻溴甲基苯甲酸甲酯；2-(溴甲基)苯甲酸甲酯
• 英文名称: methyl 2-bromomethylbenzoate
• 英文别名: methyl 2-(bromomethyl)benzoate
• CAS: 2417-73-4
• 化学式: C₉H₉BrO₂
• mdl: MFCD03425900
• 分子量: 229.073
• InChiKey: QKASDIPENBEWBU-UHFFFAOYSA-N

物化性质

• 熔点：
  32-32.5 °C
• 沸点：
  114 °C(Press: 0.44 Torr)
• 密度：
  1.460±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少量）、己烷（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P260,P264,P270,P280,P301+P312+P330,P301+P330+P331,P303+P361+P353,P304+P340+P310,P305+P351+P338+P310,P362+P364,P405,P501
• 危险品运输编号：
  3261
• 危险性描述：
  H302+H312,H314
• 储存条件：
  2～8℃

SDS

Name:	Methyl 2-(bromomethyl)benzoate Material Safety Data Sheet
Synonym:
CAS:	2417-73-4

Section 1 - Chemical Product MSDS Name:Methyl 2-(bromomethyl)benzoate Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2417-73-4	Methyl 2-(bromomethyl)benzoate		unlisted

Hazard Symbols: C
Risk Phrases: 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

---

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

---

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 foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

---

Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2417-73-4: 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: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 153 deg C @4mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H9BrO2
Molecular Weight: 229.07

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

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2417-73-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-(bromomethyl)benzoate - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

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

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.*
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing group: II

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 2417-73-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2417-73-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2417-73-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质：白色固体

反应信息

• 作为反应物：
  描述：

  2-溴甲基苯甲酸甲酯 在 盐酸 、 氢溴酸 、 氢气 、 sodium methylate 、 magnesium 、 苯基锂 、 三氟乙酸酐 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 、 1,2-二氯乙烷 为溶剂， 35.0~140.0 ℃ 、4.0 MPa 条件下， 反应 45.5h， 生成 盐酸多塞平
  参考文献：
  名称：

  一种以邻卤甲基苯甲酸甲酯为原料制备盐酸多塞平的方法

  摘要：

  本发明公开了以邻卤甲基苯甲酸甲酯为原料制备盐酸多塞平的方法。该方法以来源广泛的邻卤甲基苯甲酸甲酯为起始原料，依次通过取代、水解、环化、亲核加成、消除反应、亲核取代、亲核取代、中和反应，得到柳氮磺吡啶。得到于第7步的亲核取代反应步骤中，采用有机锂化合物于醚的溶剂中，这样使得机锂化合物与二甲胺形成铵锂盐接着该铵锂盐与卤代物进行烷基化反应，提高三级胺的收率，由此保证了最终盐酸多塞平的收率和纯度。

  公开号：

  CN105367538A
• 作为产物：
  描述：

  2-溴甲基苯甲酸 生成 2-溴甲基苯甲酸甲酯
  参考文献：
  名称：

  Salkind, Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1914, vol. 46, p. 510

  摘要：

  DOI：
• 作为试剂：
  描述：

  t-Butyl (S,S)-N-<4-<4-(3-t-butoxycarbonyl-2,2-dimethyloxazolidin-4-yl)methylpyrrol-2-yl>-5,5-dimethyl-1-thioxo-3,6-heptadienyl>-N-methylvalinate 在 2-溴甲基苯甲酸甲酯 、 2-甲基-2-丁烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.67h， 以45%的产率得到Bis(2-methoxycarbonylbenzyl) sulfide
  参考文献：
  名称：

  肿瘤启动子戊多霉素的第二代合成

  摘要：

  使用d-丝氨酸衍生物7和1-缬氨酸衍生物16作为手性来源，以立体定向方式完成了肿瘤启动子戊多霉素（1）的全合成。将2-（溴甲基）苯甲酸甲酯用于吲哚环化25 → 26和28的关键步骤。

  DOI：

  10.1016/s0040-4020(01)88285-5

文献信息

• BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS
  申请人：ALLERGAN, INC.

  公开号：US20130231338A1

  公开（公告）日：2013-09-05

  The present invention relates to novel benzofuran-2-sulfonamide derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of chemokine receptors.

  本发明涉及新型苯并呋喃-2-磺酰胺衍生物，制备它们的方法，含有它们的药物组合物以及它们作为化学受体调节剂的药用。
• Dibenzoxepinone Hydroxylamines and Hydroxamic Acids:  Dual Inhibitors of Cyclooxygenase and 5-Lipoxygenase with Potent Topical Antiinflammatory Activity
  作者：R. Richard L. Hamer、John J. Tegeler、Ellen S. Kurtz、Richard C. Allen、Steven C. Bailey、Mary Ellen Elliott、Luther Hellyer、Grover C. Helsley、Penelope Przekop、Brian S. Freed、John White、Lawrence L. Martin

  DOI：10.1021/jm950563z

  日期：1996.1.1

  Hydroxylamine and hydroxamic acid derivatives of a known nonsteroidal antiinflammatory dibenzoxepine series display both cyclooxygenase (CO) and 5-lipoxygenase (5-LO) inhibitory properties. Many of these new dual CO/5-LO inhibitors also exhibit potent topical antiinflammatory activity in the arachidonic acid-induced murine ear edema model. On the basis of their promising profile of in vitro and in

  已知的非甾体类抗炎性二苯并xepine系列的羟胺和羟肟酸衍生物同时显示出环氧合酶（CO）和5-脂氧合酶（5-LO）的抑制特性。这些新的双重CO / 5-LO抑制剂中的许多在花生四烯酸诱导的鼠耳水肿模型中也表现出有效的局部抗炎活性。根据其在体内和体外活性的良好前景，异羟肟酸24h，3-（6,11-dihydro-11-oxodibenz [b，e] oxepin-2-yl）-N-hydroxy-N- +选择+ +甲基丙酰胺（HP 977）和25，3-（6,11-二氢二苯并[b，e]氧杂环丁-2-基）-N-羟基-N-甲基丙酰胺（P10294）作为局部用药的发展候选药物治疗炎症性皮肤病。
• [EN] COMPOUNDS MODULATING PROTEIN RECRUITMENT AND/OR DEGRADATION<br/>[FR] COMPOSÉS MODULANT LE RECRUTEMENT ET/OU LA DÉGRADATION DE PROTÉINES
  申请人：ORIONIS BIOSCIENCES INC

  公开号：WO2021126973A1

  公开（公告）日：2021-06-24

  The invention provides cereblon binders for the degradation of proteins by the ubiquitin proteasome pathway for therapeutic applications.

  这项发明提供了用于通过泛素蛋白酶体途径降解蛋白质的 cereblon 结合物，用于治疗应用。
• [EN] TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR<br/>[FR] COMPOSÉS DE TRIAZOLE FURANE UTILISÉS EN TANT QU'AGONISTES DU RÉCEPTEUR APJ
  申请人：AMGEN INC

  公开号：WO2018097944A1

  公开（公告）日：2018-05-31

  Compounds of Formula (I) and Formula (II), pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and have use in treating cardiovascular and other conditions. Compounds of Formula (I) and Formula (II) have the following structures: (I); (II). Intermediates (V) are also claimed.

  式(I)和式(II)的化合物，其药用盐，任何上述化合物的立体异构体，或它们的混合物是APJ受体的激动剂，并且在治疗心血管和其他疾病方面有用。式(I)和式(II)的化合物具有以下结构：(I); (II)。中间体(V)也被要求。
• Antihypertensive benzopyran derivatives
  申请人：American Home Products Corporation

  公开号：US05171857A1

  公开（公告）日：1992-12-15

  Disclosed herein are novel benzopyrans represented by formula (I) ##STR1## wherein R.sup.1 is trifluoromethoxy or .beta., .beta., .beta.-trifluoroethoxy; R.sup.2 and R.sup.3 are independently selected from the group consisting of hydrogen, lower alkyl containing 1 to 5 carbon atoms, cyclo lower alkyl containing 5 to 8 carbon atoms, ##STR2## or R.sup.2 and R.sup.3 are joined to form (--CH.sub.2 --).sub.n wherein n is 4 to 7; or R.sup.2 and R.sup.3 are joined together to form (--CH.sub.2 --).sub.m CO-- wherein m is 3 to 6; or R.sup.2 and R.sup.3 are joined together to form ##STR3## wherein R.sup.4 is selected from the group consisting of hydrogen, alkoxy containing 1 to 5 carbon atoms, amino or mono- or disubstituted alkyl amino wherein said alkyl groups contain 1 to 5 carbon atoms and the pharmaceutically acceptable salts and solvates thereof, to a process for preparing them, to pharmaceutical compositions containing them, and to their use in the treatment of hypertension, asthma, irritable bladder syndrome, and irritable bowel syndrome.

  本文披露了一种由式(I)表示的新型苯并吡喃化合物##STR1##其中R.sup.1为三氟甲氧基或.beta.,.beta.,.beta.-三氟乙氧基；R.sup.2和R.sup.3分别选自氢、含有1至5个碳原子的低碳基、含有5至8个碳原子的环状低碳基、##STR2##或R.sup.2和R.sup.3连接形成(--CH.sub.2 --).sub.n，其中n为4至7；或R.sup.2和R.sup.3连接在一起形成(--CH.sub.2 --).sub.m CO--，其中m为3至6；或R.sup.2和R.sup.3连接在一起形成##STR3##其中R.sup.4选自氢、含有1至5个碳原子的烷氧基、氨基或单取代或双取代的烷基氨基，其中所述烷基基团含有1至5个碳原子，以及其药学上可接受的盐和溶剂，以及制备它们的方法、含有它们的药物组合物，以及它们在治疗高血压、哮喘、刺激性膀胱综合征和刺激性肠综合征中的用途。