2,3-二氢-1,4-苯并二英-2-碳酰氯 | 3663-81-8

• 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: 2,3-二氢-1,4-苯并二英-2-碳酰氯
• 中文别名: 2,3-二氢-1,4-苯并二恶烷-2-羰酰氯
• 英文名称: 1,4-benzodioxan-2-carbonyl chloride
• 英文别名: 2,3-Dihydro-1,4-Benzodioxine-2-Carbonyl Chloride；2,3-dihydro-1,4-benzodioxine-3-carbonyl chloride
• CAS: 3663-81-8
• 化学式: C₉H₇ClO₃
• 分子量: 198.606
• InChiKey: UPCGTFBXZKCPOT-UHFFFAOYSA-N

物化性质

• 熔点：
  56-59°C
• 沸点：
  279.9±39.0 °C(Predicted)
• 密度：
  1.374±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 海关编码：
  2932999099
• 储存条件：
  请将药品存放在避光、通风干燥的地方，并密封保存。

SDS

Name:	2 3-Dihydro-1 4-benzodioxine-2-carbonyl chloride 97% Material Safety Data Sheet
Synonym:	1,4-Benzodioxan-2-carbonyl chlorid
CAS:	3663-81-8

Section 1 - Chemical Product MSDS Name:2 3-Dihydro-1 4-benzodioxine-2-carbonyl chloride 97% Material Safety Data Sheet
Synonym:1,4-Benzodioxan-2-carbonyl chlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3663-81-8	2,3-Dihydro-1,4-benzodioxine-2-carbony	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
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:
Vacuum or sweep up material and place into a suitable disposal container.

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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. Store under nitrogen.

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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# 3663-81-8: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C9H7ClO3
Molecular Weight: 199

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3663-81-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dihydro-1,4-benzodioxine-2-carbonyl chloride - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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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# 3663-81-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3663-81-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3663-81-8 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：

  2,3-二氢-1,4-苯并二英-2-碳酰氯 在 双(三甲基硅烷基)氨基钾 、 盐酸 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 为溶剂， 反应 17.17h， 以2%的产率得到1-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-2-(6-methyl-2-p-tolyl-imidazo[1,2-a]pyridin-3-yl)-ethanone
  参考文献：
  名称：

  [EN] IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS
  [FR] ANXIOLYTIQUES D'IMIDAZO[1,2-A]PYRIDINE

  摘要：

  公开号：

  WO2005044818A3
• 作为产物：
  描述：

  1,4-苯并二氧六环-2-甲酸乙酯 在 sodium hydroxide 、 氯化亚砜 作用下， 生成 2,3-二氢-1,4-苯并二英-2-碳酰氯
  参考文献：
  名称：

  Mauleon; Antunez; Rosell, Il Farmaco, 1989, vol. 44, # 11, p. 1109 - 1117

  摘要：

  DOI：

文献信息

• 2,4-Diamino-6,7-dimethoxyquinoline derivatives as .alpha.1-adrenoceptor antagonists and antihypertensive agents
  作者：Simon F. Campbell、J. David Hardstone、Michael J. Palmer

  DOI：10.1021/jm00400a025

  日期：1988.5

  provide 1b, a key pharmacophore for alpha 1-adrenoceptor recognition. Antihypertensive activity for series 2 was evaluated after oral administration (3 mg/kg) to spontaneously hypertensive rats (SHR) and falls in blood pressure were determined at 1 and 4.5 h. Various quinoline derivatives (2) proved to be effective antihypertensive agents in SHR, with both efficacy and duration of action at least equivalent

  通过LDA-或ZnCl2介导的N- [1-（二烷基氨基）亚乙基] -2-氰基-4,5-分子内环化制备的一系列2,4-二氨基-6,7-二甲氧基喹啉衍生物（2）对二甲氧基苯胺（3）的α-肾上腺素受体亲和力和降压活性进行了评估。大多数化合物对α1-肾上腺素受体的α1-/α2-选择性之比至少为10,000时显示出很高的体外结合亲和力（Ki's，10（-10）M）。4-氨基-2- [4-（2-呋喃基）哌嗪-1-基] -6,7-二甲氧基喹啉++ +（14）被证明是最有效的成员（Ki = 1.4 X 10（-10）M）系列2，在浓度高达10（-6）M的α2-肾上腺素受体结合位点上均未显示活性。在兔肺动脉中，14是非常有效的（pA2 = 9.76 +/- 0。26）去甲肾上腺素的α1介导的血管收缩作用的竞争性拮抗剂，活性比哌唑嗪高约20倍。pKa测量结果证实，在生理pH值下，系列2的N-1质子化将有效地提
• [EN] INDAZOLE DERIVATIVES WHICH INTERACT WITH THE G-PROTEIN COUPLED RECEPTOR FAMILY<br/>[FR] DERIVES D'INDAZOLE D'INTERACTION AVEC LA FAMILLE DES RECEPTEURS COUPLES A LA PROTEINE G
  申请人：BIOFOCUS DISCOVERY LTD

  公开号：WO2005056532A1

  公开（公告）日：2005-06-23

  Compounds of the general formula: (I) wherein Y, R and R’ are as described in the specification. Further included are pharmaceutical compositions comprising the compounds, processes for their preparation, as well as the use of the compounds for the preparation of a medicament against BRS-3 receptor-related disorders.

  公式（I）中的Y、R和R'如说明书所述。进一步包括包含这些化合物的药物组合物，它们的制备过程，以及这些化合物用于制备治疗BRS-3受体相关疾病的药物的应用。
• Synthesis and antihypertensive activity of a series of 4-amino-6,7-dimethoxyquinazoline derivatives
  作者：Philippe M. Manoury、Jean L. Binet、Andre P. Dumas、Francoise Lefevre-Borg、Icilio Cavero

  DOI：10.1021/jm00151a003

  日期：1986.1

  this property. The most active derivative, N-[3-[(4-amino-6, 7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-2-furancarbo xamide hydrochloride, alfuzosin (12), showed high selectivity for peripheral alpha 1-postjunctional adrenoceptors. At equiactive antihypertensive doses, its effect on the pressor response to postural changes in conscious dog was less marked than that shown by prazosin. In the

  合成了一系列的N2-[（酰基氨基）烷基] -6,7-二甲氧基-2,4-喹唑啉二胺作为潜在的α1-肾上腺素受体拮抗剂。当以10 mg / kg po自发性高血压大鼠给药时，许多丙烷二胺衍生物显示出良好的降压活性，而乙二胺衍生物尽管在结构上与哌唑嗪密切相关，却缺乏该特性。活性最高的衍生物N- [3-[（4-氨基-6，7-二甲氧基-2-喹唑啉基）甲基氨基]丙基]四氢-2-呋喃甲酰胺x盐酸盐阿夫唑嗪（12）对外围α1具有很高的选择性。 -结后肾上腺素受体。在等剂量的降压剂量下，其对清醒犬体位变化的升压反应的作用不如哌唑嗪所显示。根据这些结果，
• [EN] ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS<br/>[FR] ARYLPIPÉRAZINES ET LEUR EMPLOI EN TANT QU'ANTAGONISTES DE ALPHA2C
  申请人：ORION CORP

  公开号：WO2010058060A1

  公开（公告）日：2010-05-27

  Compounds of formula (I), wherein X, Z, A, B, D, E, R1-R4 and m are as defined in the claims, exhibit alpha2C antagonistic activity and are thus useful as alpha2C antagonists.

  式（I）的化合物，其中X、Z、A、B、D、E、R1-R4和m如权利要求中所定义，表现出α2C拮抗活性，因此可用作α2C拮抗剂。
• [EN] QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE QUINAZOLINE EN TANT QU'INHIBITEURS DE KINASE
  申请人：FENG YANGBO

  公开号：WO2010056758A1

  公开（公告）日：2010-05-20

  The invention is directed to quinazoline compounds that can inhibit the bioactivity of one or more kinase enzymes, including a Rho kinase, an AKT kinase, a p70S6K kinase, a LIM kinase, an IKK kinase, a Fit kinase, an Aurora kinase, or a Src kinase, or any combination thereof; to methods of use of those compounds; and to methods of preparation of those compounds. The inventive compounds can be used in the treatment of malconditions including cardiovascular disease, neurogenic pain, hypertension, atherosclerosis, angina, stroke, arterial obstruction, peripheral arterial disease, erectile dysfunction, acute and chronic pain, dementia, Alzheimer's disease, Parkinson's disease, neuronal degeneration, asthma, amyotrophic lateral sclerosis, spinal cord injury, rheumatoid arthritis, osteoarthritis, osteoporosis, psoriasis, cerebral vasospasm, open angle glaucoma, multiple sclerosis, pulmonary hypertension, acute respiratory distress syndrome, inflammation, diabetes, urinary organ diseases and benign prostatic hypertrophy (BPH), metastasis, cancer, glaucoma, ocular hypertension, retinopathy, autoimmune disease, viral infection, or myocardial pathology.

  这项发明涉及能够抑制一个或多个激酶酶的生物活性的喹唑啉化合物，包括Rho激酶、AKT激酶、p70S6K激酶、LIM激酶、IKK激酶、Fit激酶、Aurora激酶或Src激酶，或其任意组合；这些化合物的使用方法；以及这些化合物的制备方法。这些创新化合物可用于治疗包括心血管疾病、神经性疼痛、高血压、动脉粥样硬化、心绞痛、中风、动脉阻塞、周围动脉疾病、勃起功能障碍、急性和慢性疼痛、痴呆症、阿尔茨海默病、帕金森病、神经元退化、哮喘、肌萎缩侧索硬化、脊髓损伤、类风湿性关节炎、骨关节炎、骨质疏松症、银屑病、脑血管痉挛、开角型青光眼、多发性硬化、肺动脉高压、急性呼吸窘迫综合征、炎症、糖尿病、泌尿器官疾病和良性前列腺增生（BPH）、转移、癌症、青光眼、眼压增高、视网膜病变、自身免疫疾病、病毒感染或心肌病理的恶性疾病的治疗。