5,6-二氯-3,4-二氢-2(1H)-亚胺喹唑啉-3-乙酸乙酯氢溴酸盐 | 70381-75-8

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 5,6-二氯-3,4-二氢-2(1H)-亚胺喹唑啉-3-乙酸乙酯氢溴酸盐
• 中文别名: 5,6-二氯-3,4-二氢-2(1H)亚胺喹唑啉-3-乙酸乙酯氢溴酸盐
• 英文名称: ethyl-5,6-dichloro-3,4-dihydro-2-(1H)-iminoquinazoline-3-acetate hydrobromide
• 英文别名: ethyl-5,6-dichloro-3,4-dihydro-2[1H]-imino quinazolin-3-acetate hydrobromide；Ethyl 2-(2-amino-5,6-dichloro-1,4-dihydroquinazolin-3-ium-3-yl)acetate;bromide
• CAS: 70381-75-8
• 化学式: BrH*C₁₂H₁₃Cl₂N₃O₂
• 分子量: 383.072
• InChiKey: UIACKXKZPDPMBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.9
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• WGK Germany：
  3

SDS

Name:	Ethyl 5 6-dichloro-dihydro-2(1H)-iminoquinazoline-3-acetate Material Safety Data Sheet
Synonym:	Ethyl 2-amino-5,6-dichloro-3(4H)-quinazolineacetate hydrobromid
CAS:	70381-75-8

Section 1 - Chemical Product MSDS Name:Ethyl 5 6-dichloro-dihydro-2(1H)-iminoquinazoline-3-acetate Material Safety Data Sheet
Synonym:Ethyl 2-amino-5,6-dichloro-3(4H)-quinazolineacetate hydrobromid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
70381-75-8	Ethyl 5,6-dichloro-dihydro-2(1H)-imino		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# 70381-75-8: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 280 deg C(decom)
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: C12H13Cl2N3O2.HBr
Molecular Weight: 383.07

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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.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 70381-75-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 5,6-dichloro-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 70381-75-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 70381-75-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 70381-75-8 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：

  5,6-二氯-3,4-二氢-2(1H)-亚胺喹唑啉-3-乙酸乙酯氢溴酸盐 在 碳酸氢钠 作用下， 以 水 为溶剂， 反应 1.0h， 生成 氯喳味唑酮
  参考文献：
  名称：

  [DE] VERWENDUNG VON 2-AMINO-2H-CHINAZOLIN-DERIVATEN ZUR HERSTELLUNG VON THERAPEUTISCHEN MITTELN
  [EN] USE OF 2-AMINO-2H-QUINAZOLINE DERIVATIVES FOR PRODUCING THERAPEUTIC AGENTS
  [FR] UTILISATION DE DERIVES DE 2-AMINO-2H-QUINAZOLINE POUR LA PREPARATION DE PRODUITS THERAPEUTIQUES

  摘要：

  这项发明涉及使用一般化学式(I)中的2-氨基-2H-喹唑啉衍生物，其中R1代表具有1-5个碳原子的烷基基团，R2、R3、R4和R5分别独立地代表氯或氢原子，以及它们的药用相容盐，用于制备治疗多发性增生性疾病、高血压和支气管扩张的药物。

  公开号：

  WO2004063172A1
• 作为产物：
  描述：

  2,3-二氯苯甲醛 在 盐酸 、 甲醇 、 sodium tetrahydroborate 、 氯化亚砜 、 硫酸 、 硝酸 、 溶剂黄146 、 三乙胺 、 tin(ll) chloride 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 甲苯 为溶剂， 反应 6.0h， 生成 5,6-二氯-3,4-二氢-2(1H)-亚胺喹唑啉-3-乙酸乙酯氢溴酸盐
  参考文献：
  名称：

  WO2024180371A1

  摘要：

  公开号：

文献信息

• Process for the Manufacture of Anagrelide Hydrochloride Monohydrate
  申请人：Bhanu Manjunath Narayan

  公开号：US20100305318A1

  公开（公告）日：2010-12-02

  The present invention relates to a process for preparation of Anagrelide Hydrochloride Monohydrate.

  本发明涉及一种制备盐酸阿格列酮单水合物的方法。
• Alkyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate
  申请人：Bristol-Myers Company

  公开号：US04146718A1

  公开（公告）日：1979-03-27

  The known blood platelet antiaggregative agent 6,7-dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2(3H)-one is prepared in high yield via an improved process involving a novel intermediate of the Formula ##STR1## in which R.sup.1 is (lower)alkyl and X is bromo, chloro or iodo. Two processes for the preparation of compounds of the Formula III are disclosed, one of which involves the novel intermediate ##STR2##

  已知的血小板抗凝剂6,7-二氯-1,5-二氢咪唑[2,1-b]喹唑啉-2(3H)-酮可通过一种改进的方法高产制备，该方法涉及到一种新的中间体，其化学式为##STR1##，其中R.sup.1为(较低)烷基，X为溴、氯或碘。公开了两种制备式III化合物的方法，其中一种涉及到新的中间体##STR2##。
• WO2008/96145
  申请人：——

  公开号：——

  公开（公告）日：——