ethyl exo-3-aminobicyclo<2.2.1>heptane-2-exo-carboxylate hydrochloride | 95630-75-4

• 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
• 英文名称: ethyl exo-3-aminobicyclo<2.2.1>heptane-2-exo-carboxylate hydrochloride
• 英文别名: ethyl exo-3-aminobicyclo<2.2.1>heptane-exo-2-carboxylate hydrochloride；ethyl diexo-3-aminobicyclo[2.2.1]heptane-2-carboxylate hydrochloride；(rac-di-exo)-3-amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride；ethyl exo-3-aminobicyclo[2.2.1]heptane-2-exo-carboxylate hydrochloride；ethyl rel-(1R,2S,3R,4S)-3-aminonorbornane-2-carboxylate;hydrochloride；ethyl (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
• CAS: 95630-75-4
• 化学式: C₁₀H₁₇NO₂*ClH
• 分子量: 219.711
• InChiKey: GUZMBZLNPJWBTA-WZSOELRKSA-N

物化性质

• 熔点：
  150 °C
• 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)：
  1.34
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2922499990
• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	Ethyl 3-exo-aminobicyclo[2.2.1]heptane-2-exo-carboxylate Material Safety Data Sheet
Synonym:	None
CAS:	95630-75-4

Section 1 - Chemical Product MSDS Name:Ethyl 3-exo-aminobicyclo[2.2.1]heptane-2-exo-carboxylate Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
95630-75-4	Ethyl 3-exo-aminobicyclo[2.2.1]heptane	98	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
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:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 95630-75-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 150 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 150 deg C
Solubility in water: Soluble.
Specific Gravity/Density: Not available.
Molecular Formula: C10H17NO2.HCl
Molecular Weight: 219.71

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 95630-75-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 3-exo-aminobicyclo[2.2.1]heptane-2-exo-carboxylate hydrochloride - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 95630-75-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 95630-75-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 95630-75-4 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

反应信息

• 作为反应物：
  描述：

  ethyl exo-3-aminobicyclo<2.2.1>heptane-2-exo-carboxylate hydrochloride 在 4-二甲氨基吡啶 、 sodium ethanolate 、 sodium cyanoborohydride 、 碳酸氢钠 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.5h， 生成 N-[3-[(4aR,5S,8R,8aS)-1-[(4-氟苯基)甲基]-1,2,4a,5,6,7,8,8a-八氢-4-羟基-2-氧代-5,8-甲桥喹啉-3-基]-1,1-二氧代-2H-1,2,4-苯并噻二嗪-7-基]甲磺酰胺
  参考文献：
  名称：

  WO2008/124450

  摘要：

  公开号：
• 作为产物：
  描述：

  ethyl (1SR,2RS,3SR,4RS)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate hydrochloride 以90%的产率得到
  参考文献：
  名称：

  STAJER, G.;SZABO, A. E.;FUELOEP, F.;BERNATH, G.;SOHAR, P., J. HETEROCYCL. CHEM., 1984, 21, N 5, 1373-1376

  摘要：

  DOI：

文献信息

• [EN] A METHOD OF INHIBITING HEPATITIS C VIRUS BY COMBINATION OF A 5,6-DIHYDRO-1H-PYRIDIN-2-ONE AND ONE OR MORE ADDITIONAL ANTIVIRAL COMPOUNDS<br/>[FR] PROCÉDÉ D'INHIBITION DU VIRUS DE L'HÉPATITE C PAR COMBINAISON D'UNE 5,6-DIHYDRO-1H-PYRIDIN-2-ONE ET D'UN OU PLUSIEURS COMPOSÉS ANTIVIRAUX SUPPLÉMENTAIRES
  申请人：ANADYS PHARMACEUTICALS INC

  公开号：WO2010042834A1

  公开（公告）日：2010-04-15

  The invention is directed to a method of treating infections by hepatitis C virus by administering N-3-[(1R,2S,7R,8S)-3-(4-fluoro-benzyl)-6-hydroxy-4-oxo-3-aza-tricyclo[6.2.1.02,7]undec-5-en-5-yl]-1,1 -dioxo-l,4-dihydro-lλ6- benzo[l,2,4]thiadiazin-7-yl} -methanesulfonamide and one or more additional antiviral compounds or pharmaceutical compositions containing such compounds.

  本发明涉及一种治疗乙型肝炎病毒感染的方法，通过给予N-3-[(1R,2S,7R,8S)-3-(4-氟苯基)-6-羟基-4-氧代-3-氮杂三环[6.2.1.02,7]十一碳-5-烯-5-基]-1,1-二氧代-1,4-二氢-1λ6-苯并[1,2,4]噻二唑-7-基}-甲磺酰胺以及一个或多个附加的抗病毒化合物或含有此类化合物的药物组合物。
• [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS
  申请人：Ruebsam Frank

  公开号：US20090306057A1

  公开（公告）日：2009-12-10

  The invention is directed to [1,2,4]thiadiazine 1,1-dioxide compounds and pharmaceutical compositions containing such compounds that are useful in treating infections by hepatitis C virus.

  这项发明涉及[1,2,4]噻二嗪1,1-二氧化物化合物和含有这种化合物的药物组合物，可用于治疗丙型肝炎病毒感染。
• [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID
  申请人：Freddo James L.

  公开号：US20120316156A1

  公开（公告）日：2012-12-13

  The present invention describes [1,2,4]thiadiazine 1,1-dioxide compounds and pharmaceutically acceptable salts thereof, which are useful in lowering serum uric acid in a patient in need thereof comprising administering to the patient a therapeutically or prophylactically effective amount of a [1,2,4]thiadiazine 1,1-dioxide compound.

  本发明描述了[1,2,4]噻二嗪1,1-二氧化物化合物及其药用可接受盐，这些化合物在降低需要的患者的血清尿酸方面是有用的，包括向患者投予治疗或预防有效量的[1,2,4]噻二嗪1,1-二氧化物化合物。
• Stereochemical studies 87saturated heterdcycles 82
  作者：Ferenc Fülöp、Géza Stájer、Gábor Bernáth、Pál Sohár

  DOI：10.1016/s0040-4020(01)96760-2

  日期：1985.1

  diexo-2-Methylamino and 2-benzylamino-3-hydroxymethylbicyclo [2.2.1]heptanes and the corresponding bicycio [2.2.1] heptenes (5a -d, 7a -d) were synthesized from β-amino acid esters containing the norbornane or norbornene skeleton (3a-d). The aminoalcohols were converted to 5,8- methano -3,1-benzoxazines by reaction with formaldehyde. As established by 1H and 13C NMR spectroscopy, the predominant conformation

  由包含降冰片烷或降冰片烯骨架（3a-d）。通过与甲醛反应将氨基醇转化为5,8-甲醇-3,1-苯并恶嗪。如1 H和13 C NMR光谱所确定的，主要构象是二叉基的内-船形（B），二叉基衍生物的是外-船形（E）。
• Preparation of uracil by cycloreversion. Structure of cycloalkane/ene- and norbornane/ene-fused dihydrouracils
  作者：Samuel Frimpong-Manso、Katalin Nagy、Géza Stájer、Gábor Bernáth、Pál Sohár

  DOI：10.1002/jhet.5570290140

  日期：1992.1

  formed from trans-4-cyclohexene-1-carboxylate, furnished the cis-fused 5,6-dihydropyrimidine-2,4(1H,3H)-dione. On heating, the norbornene-diexo-fused dihydrouracil 16 yielded 2,4-pyrimidinedione through the splitting-off of cyclopentadiene. The structures of the compounds were proved by 1H and 13C nmr spectroscopy.

  2-氨基-1-环烷烃，环烯烃，降冰片烷和降冰片烯羧酸酯1–9与氰酸钾的反应生成脲酯，然后将其酯化成环烷烃，环烯，降冰片烷和降冰片烯稠合的5,6-。二氢尿嘧啶10-17。在环化中，由反式-4-环己烯-1-羧酸酯形成的脲酯提供了顺式稠合的5,6-二氢嘧啶-2,4（1 H，3 H）-二酮。加热时，降冰片烯-二烯基稠合的二氢尿嘧啶16通过环戊二烯的分解产生2，4-嘧啶二酮。化合物的结构由1 H和13证明C nmr光谱。