5-(2-溴乙氧基)-2,3-二氢-1,4-苯并二唑 | 1710-62-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 中文名称: 5-(2-溴乙氧基)-2,3-二氢-1,4-苯并二唑
• 中文别名: 5-(2-溴乙氧基)-2,3-二氢-1,4-苯并二烷；5-(2-溴乙氧基)-1,4-苯并二恶烷
• 英文名称: 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxin
• 英文别名: 5-(2-bromoethoxy)-2,3-dihydrobenzo[b][1,4]dioxine；5-(2-Bromoethoxy)-2,3-dihydro-1,4-benzodioxine
• CAS: 1710-62-9
• 化学式: C₁₀H₁₁BrO₃
• mdl: MFCD00099411
• 分子量: 259.1
• InChiKey: IHXJWHBJQFUJBZ-UHFFFAOYSA-N

物化性质

• 熔点：
  85°C
• 沸点：
  325.1±42.0 °C(Predicted)
• 密度：
  1.506±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2932999099
• 危险类别：
  IRRITANT
• 安全说明：
  S26

SDS

Name:	5-(2-Bromoethoxy)-2 3-dihydro-1 4-benzodioxine 97% Material Safety Data Sheet
Synonym:
CAS:	1710-62-9

Section 1 - Chemical Product MSDS Name:5-(2-Bromoethoxy)-2 3-dihydro-1 4-benzodioxine 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1710-62-9	5-(2-Bromoethoxy)-2,3-dihydro-1,4-benz	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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:
Treat symptomatically and supportively.

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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.

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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.

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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.

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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# 1710-62-9: 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.

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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: 85 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:
Specific Gravity/Density:
Molecular Formula: C10H11BrO3
Molecular Weight: 259

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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.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1710-62-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(2-Bromoethoxy)-2,3-dihydro-1,4-benzodioxine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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

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Section 14 - TRANSPORT INFORMATION

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

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1710-62-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1710-62-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1710-62-9 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

反应信息

• 作为反应物：
  描述：

  5-(2-溴乙氧基)-2,3-二氢-1,4-苯并二唑 在 吡啶 、 一水合肼 、 potassium iodide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 N-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]acetamide
  参考文献：
  名称：

  Substituted oxygenated heterocycles and thio-analogues: synthesis and biological evaluation as melatonin ligands

  摘要：

  A new series of substituted oxygenated heterocycles and thio-analogues were synthesized and evaluated as melatonin receptor ligands. The replacement of the indolic moiety of melatonin by heterocyclic skeleton such as 1,4-benzodioxin, 2,3-dihydro-1,4-benzodioxin, chroman, 2,3-dihydro-1,4-benzoxathiin, thiochroman, carrying the amidic chain on the aromatic ring, leads to compounds showing a weak affinity for melatonin receptors, except for the compounds 1cb and 1hb. (C) 2000 Elsevier Science Ltd, All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00265-5
• 作为产物：
  描述：

  2,3-乙二氧基酚 、 1,2-二溴乙烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 48.0h， 以36%的产率得到5-(2-溴乙氧基)-2,3-二氢-1,4-苯并二唑
  参考文献：
  名称：

  发现新型pERK1 / 2或β-arrestin偏爱的5-HT1A受体偏向激动剂：多种治疗样与副作用的关系。

  摘要：

  获得了对5-羟色胺5-HT 1A受体具有高亲和力和选择性的新型1-（1-苯甲酰基哌啶丁-4-基）甲胺衍生物，并在四种功能测定中进行了测试：ERK1 / 2磷酸化，腺苷酸环化酶抑制，钙动员和β-抑制蛋白的募集。选择化合物44和56（分别为2-甲基氨基苯氧基乙基和2-（1 H-吲哚-4-基氧基）乙基衍生物）作为具有高度差异性的“信号指纹”的偏向激动剂，这些信号被翻译成不同的体内特征。在体外，44显示出对ERK1 / 2磷酸化的偏向激动作用，而在体内，它在大鼠Porsolt强迫游泳试验中优先发挥了抗抑郁样作用。相反，化合物56表现出一流的特性：它在体外优先有效地激活β-arrestin募集，并在体内有效引起下唇缩回，这是“ 5-羟色胺能综合症”的一个组成部分。两种化合物均显示出良好的可显影性。提出的5-HT 1A受体偏向激动剂，优先针对各种信号传导途径，有可能成为独特的中枢神经系统病理学的候选药

  DOI：

  10.1021/acs.jmedchem.0c00814

文献信息

• SULPHONAMIDE DERIVATIVES OF ALICYCLIC AMINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES
  申请人：Kolaczkowski Marcin

  公开号：US20140135310A1

  公开（公告）日：2014-05-15

  Sulphonamide derivatives of alicyclic amines of formula (I), wherein A represents naphthyl or 9- or 10-membered bicyclic group, consisting of benzene ring fused with 5- or 6-membered heterocyclic ring; D represents phenyl, naphthyl, 5-membered aromatic heterocyclic group, bicyclic group consisting of a ring selected from benzene and pyridine, fused with aromatic or non-aromatic 5-membered heterocyclic ring; p, r independently represent 0 or 1; x, z independently represent 1 or 2; n is 2 or 3; and enancjomers, pharmaceutically acceptable salts and solvates thereof. The compounds may be useful for the treatment and/or prevention of the central nervous system disorders.

  环脂肪胺的磺胺衍生物的化学式(I)，其中A代表萘基或9-或10-成员双环基团，由苯环与5-或6-成员杂环环融合而成；D代表苯基，萘基，5-成员芳香杂环基团，由苯环和吡啶中选择的环融合而成，与芳香或非芳香5-成员杂环环融合；p，r独立地代表0或1；x，z独立地代表1或2；n为2或3；其对映体，药学上可接受的盐及溶剂化合物。这些化合物可能对中枢神经系统疾病的治疗和/或预防有用。
• SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES
  申请人：ADAMED SP. Z O.O

  公开号：US20150051257A1

  公开（公告）日：2015-02-19

  Sulphonamide derivatives of benzylamine of formula (I), wherein A represents phenyl unsubstituted or substituted; or 9- or 10-membered bicyclic group, linked to —(O) x —(CH2) y — through one of its aromatic carbon atoms, consisting of benzene ring fused with -membered heteroaromatic ring containing 1 or 2 heteroatoms independently selected from the group consisting of N and O, wherein such bicyclic group is unsubstituted or substituted or with 5- or 6-membered non-aromatic heterocyclic ring having 1 or 2 O atoms, wherein heterocyclic ring is unsubstituted or substituted with one or more C 1 -C 3 -alkyls; D represents a group selected from: phenyl unsubstituted or substituted; naphthyl unsubstituted or substituted; thiophene unsubstituted or substituted; bicyclic group consisting of imidazolering fused with 5-membered non-aromatic carbocyclic ring; bicyclic group consisting of benzene ring fused with 5-membered heteroaromatic ring, having 1 or 2 heteroatoms independently selected from the group consisting of N, O and S, unsubstituted or substituted and linked to sulphonamide moiety through one of carbon atoms of benzene ring; and bicyclic group consisting of benzene ring fused with—or 6-membered non-aromatic heterocyclic ring having 1 or 2 heteroatoms independently selected from the group consisting of N and O, unsubstituted or substituted, and linked to sulphonamide moiety through one of carbon N atoms of benzene ring; R represents H or —CH 3; x is 0 or 1; y is 2 or 3; and pharmaceutically acceptable salts and solvates thereof, with the provisos that if x is 0 and y is 2, then D is naphthyl unsubstituted or substituted with one halogen atom, and if R represents —CH 3, then A is not unsubstituted or substituted phenyl. The compounds can be used in the treatment and/or prophylaxis of central nervous system disorders.

  苯甲胺的磺胺基衍生物，其化学式（I）中，A代表未取代或取代的苯基；或与—(O)x—(CH2)y—连接的9-或10-成员双环族，通过其芳香碳原子之一，由与含1或2个异原子（N和O）中独立选择的群组成的芳香环并联的苯环构成，其中此类双环族未取代或取代，或者与含1或2个O原子的5-或6-成员非芳香杂环取代或未取代，其中杂环未取代或取代为一个或多个C1-C3-烷基；D代表选自：未取代或取代的苯基；未取代或取代的萘基；未取代或取代的噻吩基；由咪唑环并联的5-成员非芳香碳环组成的双环族；由苯环并联的含1或2个异原子（N、O和S）中独立选择的群组成的5-成员杂芳环，未取代或取代，并通过苯环的一个碳原子之一与磺胺基团连接；以及由苯环并联的含1或2个异原子（N和O）中独立选择的群组成的5-或6-成员非芳香杂环取代或未取代，并通过苯环的一个碳N原子之一与磺胺基团连接；R代表H或—CH3；x为0或1；y为2或3；以及其药学上可接受的盐和溶剂合物，但如果x为0且y为2，则D为未取代或取代的萘基，且如果R代表—CH3，则A不是未取代或取代的苯基。这些化合物可用于治疗和/或预防中枢神经系统疾病。
• [EN] SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES<br/>[FR] DÉRIVÉS DE SULFONAMIDE DE LA BENZYLAMINE POUR LE TRAITEMENT DE MALADIES DU SYSTÈME NERVEUX CENTRAL (SNC)
  申请人：ADAMED SP ZOO

  公开号：WO2013140347A1

  公开（公告）日：2013-09-26

  Sulphonamide derivatives of benzylamine of formula (I), wherein A represents phenyl unsubstituted or substituted;or 9-or 10-membered bicyclic group, linked to –(O) x - (CH 2 ) y -through one of its aromatic carbon atoms,consisting of benzene ring fused with -membered heteroaromatic ring containing 1 or 2 heteroatoms independently selected from the group consisting of N and O, wherein such bicyclic group is unsubstituted or substituted or with 5-or 6-membered non-aromaticheterocyclic ring having 1 or 2 O atoms, wherein heterocyclic ring is unsubstituted or substituted with one or more C1 -C3 - alkyls; D represents a group selected from:phenyl unsubstituted or substituted; naphthyl unsubstituted or substituted;thiophene unsubstituted or substituted;bicyclic group consisting of imidazolering fused with5-membered non-aromatic carbocyclic ring; bicyclic group consisting of benzene ring fused with 5-membered heteroaromatic ring, having 1 or 2heteroatoms independently selected from the group consisting of N, O and S, unsubstituted or substituted and linked to sulphonamide moiety through one of carbon atoms of benzene ring;and bicyclic group consisting of benzene ring fused with -or 6-membered non-aromatic heterocyclic ring having 1 or 2heteroatoms independently selected from the group consisting of N and O, unsubstituted or substituted, and linked to sulphonamide moiety through one of carbon atoms of benzene ring;R represents H or –CH 3;x is 0 or 1;yis 2 or 3;and pharmaceutically acceptable salts and solvates thereof, with the provisos that if x is 0 and y is 2, then D is naphthyl unsubstituted or substituted with one halogen atom, and if R represents –CH 3, then A is not unsubstituted or substituted phenyl. The compounds can be used in the treatment and/or prophylaxis of central nervous system disorders.

  苯甲胺的磺胺基衍生物的化学式（I），其中A代表未取代或取代的苯基；或9-或10-成员的双环族，通过其中一个芳香碳原子连接到-(O) x - (CH 2 ) y -，由苯环与含有1个或2个杂原子（从N和O组成的组中独立选择）的-成员杂芳环融合而成，其中该双环族未取代或取代，或与含有1个或2个O原子的5-或6-成员非芳杂环取代，其中杂环未取代或取代为一个或多个C1 -C3 -烷基；D代表从中选择的一组：未取代或取代的苯基；未取代或取代的萘基；未取代或取代的噻吩基；由咪唑环融合而成的5-成员非芳碳环的双环族；由苯环融合而成的含有1个或2个杂原子（从N、O和S组成的组中独立选择）的5-成员杂芳环的双环族，未取代或取代，并通过苯环的一个碳原子与磺胺基团连接；以及由苯环融合而成的5-或6-成员非芳杂环的双环族，其中杂原子独立选择自N和O组成的组，未取代或取代，并通过苯环的一个碳原子与磺胺基团连接；R代表H或-CH 3；x为0或1；y为2或3；以及其药学上可接受的盐和溶剂化合物，但是如果x为0且y为2，则D为未取代或取代的萘基且带有一个卤原子，如果R代表-CH 3，则A不是未取代或取代的苯基。这些化合物可用于治疗和/或预防中枢神经系统疾病。
• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF
  申请人：Florjancic S. Alan

  公开号：US20080064699A1

  公开（公告）日：2008-03-13

  The present invention relates to compounds of formula (I), or pharmaceutically acceptable salts, prodrugs, salts of prodrugs, or combinations thereof, wherein R 1 , R 2 , R 3 , R 4 , and L 2 , are defined in the specification, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本发明涉及式（I）的化合物，或其药学上可接受的盐，前药，前药盐或其组合物，其中R1，R2，R3，R4和L2在规范中有定义，包括这些化合物的组合物，以及使用这些化合物和组合物治疗疾病和病症的方法。
• Heterocyclic compounds
  申请人：Adir et Compagnie

  公开号：US05919814A1

  公开（公告）日：1999-07-06

  The invention relates to compound of general formula (I): ##STR1## wherein: Z represents O or CH.sub.2 n is from 0 to 4 R, X and Y are as defined in the description, and A represents ##STR2## wherein R.sup.1, R.sup.2, R.sup.6, R.sup.7 and T' are as defined in the description, and medicinal products containing the same are useful in treating or in preventing melatoninergic disorders.

  本发明涉及一般式（I）的化合物：##STR1## 其中：Z代表O或CH.sub.2，n为0至4，R，X和Y如描述中所定义，A代表##STR2## 其中R.sup.1，R.sup.2，R.sup.6，R.sup.7和T'如描述中所定义，并且含有该化合物的药物在治疗或预防褪黑激素失调方面是有用的。