2,2-二氯环丙烷羧酸 | 5365-14-0

• 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: 2,2-二氯环丙烷羧酸
• 中文别名: 2,2-二氯环丙烷-1-羧酸；2,2 -二氯环丙烷羧酸
• 英文名称: 2,2-dichlorocyclopropanecarboxylic acid
• 英文别名: 2,2-Dichloro-cyclopropane-1-carboxylic acid；2,2-dichloro-1-cyclopropanecarboxylic acid；2,2-dichlorocyclopropane-1-carboxylic acid；(2,2-dichlorocyclopropyl)carboxylic acid；gem-Dichlorocyclopropanecarboxylic acid；2,2-dichloro-cyclopropanecarboxylic acid
• CAS: 5365-14-0
• 化学式: C₄H₄Cl₂O₂
• mdl: MFCD00180924
• 分子量: 154.981
• InChiKey: GVGFEJPTKINGLP-UHFFFAOYSA-N

物化性质

• 熔点：
  75-76°C

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 海关编码：
  2916209090
• 危险品运输编号：
  UN 3261

SDS

Name:	2 2-Dichlorocyclopropane-1-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS:	5365-14-0

Section 1 - Chemical Product MSDS Name:2 2-Dichlorocyclopropane-1-carboxylic acid 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5365-14-0	2,2-Dichlorocyclopropane-1-carboxylic	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
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.

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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.

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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 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.

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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# 5365-14-0: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 75 - 76 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: C4H4Cl2O2
Molecular Weight: 155

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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:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5365-14-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2-Dichlorocyclopropane-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
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# 5365-14-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5365-14-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5365-14-0 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：

  2,2-二氯环丙烷羧酸 在 lithium aluminium tetrahydride 作用下， 以 乙醇 为溶剂， 生成 (2,2-二氯环丙基)甲醇
  参考文献：
  名称：

  [EN] ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS
  [FR] COMPOSÉS PHARMACEUTIQUES ARYLE, HÉTÉROARYLES ET HÉTÉROCYCLIQUES POUR LE TRAITEMENT DE TROUBLES MÉDICAUX

  摘要：

  提供了抑制补体因子D的抑制剂、药物组合物及其用途，以及它们的制备方法。所提供的化合物包括公式I、公式II、公式III、公式IV和公式V，或其药学上可接受的盐、前药、同位素类似物、N-氧化物或其分离异构体，可选地在药学上可接受的组合物中。本文描述的抑制剂针对因子D并抑制或调节补体级联反应。

  公开号：

  WO2018160889A1
• 作为产物：
  描述：

  2,2-二氯环丙基乙烯 在 potassium permanganate 作用下， 以 丙酮 为溶剂， 生成 2,2-二氯环丙烷羧酸
  参考文献：
  名称：

  Substituent Effect in the Ionization ofcis-2-Substituted 1-Cyclopropanecarboxylic Acids

  摘要：

  合成了十种顺式-2-取代的1-环丙烷羧酸（取代基：H、CH3、C6H5、CH3O、C2H5O、Cl、Br、CH3CO、CH3OCO和C2H5OCO），并在25°C的水中测定了它们的pKa值，以及对应的反式-2-氯和2-甲氧基衍生物的pKa值。顺式异构体的pKa值普遍高于相应的反式异构体，氯和溴衍生物除外。得到的取代基效应与电子效应的通常顺序一致，除了苯基，苯基相对未取代酸表现出酸性下降。研究表明，在去氘氯仿中获得的乙基顺式-2-取代1-环丙烷羧酸酯的亚甲基碳的碳-13化学位移与pKa(cis)值之间存在合理的线性关系。

  DOI：

  10.1246/bcsj.52.1944

文献信息

• 6-(Substituted-cycloalkylcarboxamide) penicillanic acids
  申请人：Bayer Aktiengesellschaft

  公开号：US03954730A1

  公开（公告）日：1976-05-04

  Penicillins of the formula ##SPC1## Or a pharmaceutically-acceptable, nontoxic salt thereof, Wherein R.sub.1 and R.sub.2 are the same or different and each is hydrogen, fluorine, chlorine or bromine; or when R.sub.2 is hydrogen, R.sub.1 can also be cyano, hydroxyl, azido, amino or nitro; or R.sub.1 and R.sub.2 are bonded to a ring carbon atom and constitute a single oxygen atom; R.sub.3 is hydrogen, methyl, chlorine, bromine, cyano, methoxy or carboxyl; and n is 2 to 7; Are useful for their antibacterial activity.

  盐酸盐或药用可接受的非毒性盐的公式为##SPC1##的青霉素，其中R.sub.1和R.sub.2相同或不同，每个都是氢、氟、氯或溴；或者当R.sub.2是氢时，R.sub.1也可以是氰基、羟基、叠氮基、氨基或硝基；或者R.sub.1和R.sub.2连接到一个环碳原子并构成一个单氧原子；R.sub.3是氢、甲基、氯、溴、氰基、甲氧基或羧基；n为2到7；它们因其抗菌活性而有用。
• CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF
  申请人：——

  公开号：US20030225107A1

  公开（公告）日：2003-12-04

  This invention relates to new oxazolidinones having a cyclopropyl moiety, which are effective against aerobic and anerobic pathogens such as multi-resistant staphylococci, streptococci and enterococci, Bacteroides spp., Clostridia spp. species, as well as acid-fast organisms such as Mycobacterium tuberculosis and other mycobacterial species. The compounds are represented by structural formula I: 1 its enantiomer, diastereomer, or pharmaceutically acceptable salt or ester thereof.

  这项发明涉及新的含有环丙基基团的噁唑烷酮类化合物，这些化合物对包括多耐药葡萄球菌、链球菌和肠球菌、拟杆菌属、梭菌属等好氧菌和厌氧菌，以及结核分枝杆菌和其他分枝杆菌属等抗酸菌有效。这些化合物由结构式I表示：1其对应的手性异构体、对映异构体或药用可接受的盐或酯。
• PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS
  申请人：Long Daniel D.

  公开号：US20130287730A1

  公开（公告）日：2013-10-31

  The invention provides compounds of formula (I): wherein the variables are defined in the specification, or a pharmaceutically-acceptable salt thereof, that are inhibitors of replication of the hepatitis C virus. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat hepatitis C viral infections, and processes and intermediates useful for preparing such compounds.

  这项发明提供了式(I)的化合物： 其中变量在规范中定义，或其药用盐，这些化合物是乙型肝炎病毒复制的抑制剂。该发明还提供了包括这些化合物的药物组合物，使用这些化合物治疗乙型肝炎病毒感染的方法，以及用于制备这些化合物的工艺和中间体。
• Reactions of Organic Anions; CXLIX.¹Reactions of<i>gem</i>-Dichlorocyclopropanes Containing an Electron-Withdrawing Substituent with Organic Anions Generated with Phase-Transfer Catalysis
  作者：Michał Fedoryński、Agnieszka Dybowska、Andrzej Jończyk

  DOI：10.1055/s-1988-27635

  日期：——

  gem- Dichlorocyclopropanes 1 react with C-H, O-H and S-H acids in the presence of concentrated sodium hydroxide solution and a phase-transfer catalyst to give gem-disubstituted cyclopropanes 2 or chain products 3 in 44-95% yield.

  双氯环丙烷1在浓氢氧化钠溶液和相转移催化剂的存在下，与碳氢、氧氢和硫氢酸反应，生成双取代环丙烷2或链状产物3，产率可达44-95%。
• [EN] ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS<br/>[FR] COMPOSÉS PHARMACEUTIQUES ARYLE, HÉTÉROARYLES ET HÉTÉROCYCLIQUES POUR LE TRAITEMENT DE TROUBLES MÉDICAUX
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2018160889A1

  公开（公告）日：2018-09-07

  Complement Factor D inhibitors, pharmaceutical compositions, and uses thereof, as well as processes for their manufacture are provided. The compounds provided include Formula I, Formula II, Formula III, Formula IV, and Formula V, or a pharmaceutically acceptable salt, prodrug, isotopic analog, N-oxide, or isolated isomer thereof, optionally in a pharmaceutically acceptable composition. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade.

  提供了抑制补体因子D的抑制剂、药物组合物及其用途，以及它们的制备方法。所提供的化合物包括公式I、公式II、公式III、公式IV和公式V，或其药学上可接受的盐、前药、同位素类似物、N-氧化物或其分离异构体，可选地在药学上可接受的组合物中。本文描述的抑制剂针对因子D并抑制或调节补体级联反应。