3-甲氧基羰基-1,2,2-三甲基环戊烷-1-羧酸 | 306935-15-9

• 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: 3-甲氧基羰基-1,2,2-三甲基环戊烷-1-羧酸
• 英文名称: 1,2,2-trimethyl-cyclopentane-1r,3c-dicarboxylic acid 3-methyl ester
• 英文别名: 1,2,2-trimethyl-cyclopentane-1,3-dicarboxylic acid-3-methyl ester；1,2,2-Trimethyl-cyclopentan-1,3-dicarbonsaeure-3-methylester；3-(methoxycarbonyl)-1,2,2-trimethylcyclopentanecarboxylic acid；α-Methylhydrogen-dl-isocamphersaeure；α-Methylhydrogen-dl-camphersaeure；Camphersaeure-β-monomethylester；3-(Methoxycarbonyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid；3-methoxycarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid
• CAS: 306935-15-9
• 化学式: C₁₁H₁₈O₄
• mdl: MFCD00729045
• 分子量: 214.262
• InChiKey: VFNNTVXOZWMVGX-UHFFFAOYSA-N

物化性质

• 熔点：
  62-64
• 沸点：
  295.4±33.0 °C(Predicted)
• 密度：
  1.096±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.818
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2918990090

SDS

Name:	3-(Methoxycarbonyl)-1 2 2-trimethylcyclopentane-1-carboxylic acid Material Safety Data Sheet
Synonym:
CAS:	306935-15-9

Section 1 - Chemical Product MSDS Name:3-(Methoxycarbonyl)-1 2 2-trimethylcyclopentane-1-carboxylic acid Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
306935-15-9	3-(Methoxycarbonyl)-1,2,2-trimethylcyc	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# 306935-15-9: 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: 62 - 64 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: C11H18O4
Molecular Weight: 214

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 306935-15-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(Methoxycarbonyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid - 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# 306935-15-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 306935-15-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 306935-15-9 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：

  3-甲氧基羰基-1,2,2-三甲基环戊烷-1-羧酸 在 五氯化磷 作用下， 生成 3-carbamoyl-2,2,3-trimethyl-cyclopentanecarboxylic acid methyl ester
  参考文献：
  名称：

  Noyes; Nickell, Journal of the American Chemical Society, 1914, vol. 36, p. 125

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 (±)-樟脑酸酐 生成 3-甲氧基羰基-1,2,2-三甲基环戊烷-1-羧酸
  参考文献：
  名称：

  Bruehl; Braunschweig, Chemische Berichte, 1893, vol. 26, p. 285

  摘要：

  DOI：

文献信息

• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS
  申请人：Carroll William A.

  公开号：US20090023789A1

  公开（公告）日：2009-01-22

  The present application relates to isothiazolylidene containing compounds of Formula (I) wherein R 1 , R 2 , R 3 , R 4 , and L are as defined in the specification, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及含有异噻唑烷基的化合物，其化学式为（I），其中R1、R2、R3、R4和L如规范中所定义，包括这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• Compounds as cannabinoid receptor ligands
  申请人：Abbott Laboratories

  公开号：US07872033B2

  公开（公告）日：2011-01-18

  The present application relates to isothiazolylidene containing compounds of Formula (I) wherein R1, R2, R3, R4, and L are as defined in the specification, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及公式（I）中含有异噻唑烷酮的化合物，其中R1、R2、R3、R4和L如规范中所定义，包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• DIPEPTIDYL PEPTIDASE IV INHIBITORS
  申请人：Balasubramanian Gopalan

  公开号：US20110257164A1

  公开（公告）日：2011-10-20

  Described are novel compounds of the Formula (I), their derivatives, analogs, tautomeric forms, regioisomers, stereoisomers, polymorphs, solvates, intermediates, pharmaceutically acceptable salts, pharmaceutical compositions, metabolites and prodrugs thereof. These compounds are effective in lowering blood glucose, serum insulin, free fatty acids, cholesterol, triglyceride levels; treatment of obesity, inflammation, autoimmune diseases such as multiple sclerosis, rheumatoid arthritis; treatment and/or prophylaxis of type II diabetes. These compounds are more particularly dipeptidyl peptidase (DPP IV) inhibitors.

  本发明涉及一类新化合物，其化学式为(I)，以及它们的衍生物、类似物、互变异构体、区域异构体、立体异构体、多晶形态、溶剂化物、中间体、药学上可接受的盐、制药组合物、代谢物和前药。这些化合物能够有效降低血糖、血清胰岛素、游离脂肪酸、胆固醇、甘油三酯水平；用于肥胖、炎症、自身免疫疾病如多发性硬化症、类风湿性关节炎的治疗；以及用于治疗和/或预防2型糖尿病。这些化合物特别是二肽基肽酶(DPP IV)抑制剂。
• METHOD FOR TREATING STROKE OR REDUCING NERVE INJURY
  申请人：Arjil Biotech Holding Company Limited

  公开号：EP3415145A2

  公开（公告）日：2018-12-19

  The disclosure is related to a compound for use in treating stroke or reducing nerve injury, wherein the compound is isolated and purified from Antrodia camphorata fruiting body by methanol extraction. In particular, the compound is dehydroeburicoic acid, dehydrosulphurenic acid (dehydrosulfurenic acid) or 4,7-Dimethoxy-5-methyl-1,3-benzodioxole.

  本公开涉及一种用于治疗中风或减轻神经损伤的化合物，其中该化合物是通过甲醇萃取从樟芝子实体中分离纯化的。特别是，该化合物是脱氢琥珀酸、脱氢硫琥珀酸或 4,7-二甲氧基-5-甲基-1,3-苯并二恶茂。
• Method and composition for inhibiting virus infection
  申请人：ARJIL BIOTECH HOLDING COMPANY LIMITED

  公开号：US11253527B2

  公开（公告）日：2022-02-22

  The present invention pertains to a composition for preparing a medicament for preventing and/or treating a virus infection, especially a hepatitis B virus infection and/or a herpes simplex virus, and uses thereof.

  本发明涉及一种用于制备预防和/或治疗病毒感染（尤其是乙型肝炎病毒感染和/或单纯疱疹病毒感染）的药物组合物及其用途。

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