1-(4-氯苯基)-5-丙基-吡唑-4-羰酰氯 | 175137-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(4-氯苯基)-5-丙基-吡唑-4-羰酰氯
• 英文名称: 1-(4-chlorophenyl)-5-propyl-1H-pyrazole-4-carbonyl chloride
• 英文别名: 1-(4-chloro-phenyl)-5-propyl-1H-pyrazole-4-carbonyl chloride；1-(4-chlorophenyl)-5-propyl-pyrazole-4-carbonyl chloride；1-(4-chlorophenyl)-5-propylpyrazole-4-carbonyl chloride
• CAS: 175137-18-5
• 化学式: C₁₃H₁₂Cl₂N₂O
• 分子量: 283.157
• InChiKey: YLYXUXZCBMWGQV-UHFFFAOYSA-N

物化性质

• 沸点：
  159 °C
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2933199090

SDS

Name:	1-(4-Chlorophenyl)-5-propyl-1H-pyrazole-4-carbonyl chloride 97% Material Safety Data Sheet
Synonym:
CAS:	175137-18-5

Section 1 - Chemical Product MSDS Name:1-(4-Chlorophenyl)-5-propyl-1H-pyrazole-4-carbonyl chloride 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175137-18-5	1-(4-Chlorophenyl)-5-propyl-1H-pyrazol	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.

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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:
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 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:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. 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# 175137-18-5: 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: 113 - 115 deg C @4mmHg
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: C13H12Cl2N2O
Molecular Weight: 283

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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, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175137-18-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Chlorophenyl)-5-propyl-1H-pyrazole-4-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# 175137-18-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175137-18-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175137-18-5 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：

  1-(4-氯苯基)-5-丙基-吡唑-4-羰酰氯 、 N-甲基环己胺 在 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-propyl-pyrazole-4-carboxamide
  参考文献：
  名称：

  Pyrazole derivatives as 11-beta-HSD1 inhibitors

  摘要：

  本发明涉及一种化合物及其药学上可接受的盐，其化学式为(I)。其中，变量基团在内部定义；还描述了它们在抑制11βHSD1方面的应用，制备它们的过程以及包含它们的药物组合物。

  公开号：

  US08344016B2

文献信息

• [EN] NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1).<br/>[FR] NOUVEAUX AMIDES HETEROCYCLIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2004096784A1

  公开（公告）日：2004-11-11

  The present invention relates to new compounds of formula I, wherein R1 to R8 are as defined as in formula I, or salts, solvates or solvated salts thereof, processes for their preparation and to new intermediates used in the preparation thereof, pharmaceutical compositions containing said compounds and to the use of said compounds in therapy.

  本发明涉及公式I的新化合物，其中R1至R8如公式I中所定义，或其盐、溶剂合物或溶剂化合盐，以及用于其制备的新中间体，含有所述化合物的药物组合物以及所述化合物在治疗中的用途。
• 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1)
  申请人：Wyeth

  公开号：US20030045560A1

  公开（公告）日：2003-03-06

  This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: 1 Wherein: Ar is phenyl, naphthyl, furanyl, benzofuranyl, indolyl, pyrazolyl, oxazolyl, fluorenyl, phenylcycloalkane where the cycloalkane can be cyclopropyl, cyclobutyl, cyclopentyl or cyclohexyl and Ar can be optionally substituted by 1 to 3 groups selected from C 1 -C 6 alkyl, C 1 -C 6 alkoxy, hydroxy, phenyl-(CH 2 ) 0-6 —, phenyl-(CH 2 ) 0-6 O—, C 3 -C 6 cycloalkyl, —(CH 2 )—C 3 -C 6 cycloalkyl, halogen, C 1 -C 3 perflouroalkyl and C 1 -C 3 perfluoroalkoxy where phenyl can be substituted with from 1 to 3 groups selected from C 1 -C 6 alkyl, C 1 -C 6 alkoxy, phenyl, halogen, trifluoromethyl or trifluoromethoxy; R 1 is hydrogen, C 1 -C 6 alkyl or phenyl-(CH 2 ) 1-6 — where phenyl can be substituted with C 1 -C 6 alkyl, C 1 -C 6 alkoxy, halo, trifluoromethyl or trifluoromethoxy; R 2 and R 3 are H, C 1 -C 6 alkyl, phenyl-(CH 2 ) 0-3 —, halo and C 1 -C 3 perfluoroalkyl where phenyl can be substituted with C 1 -C 6 alkyl, C 1 -C 6 alkoxy, halo, trifluoromethyl or trifluoromethoxy; R 4 is —CHR 5 CO 2 H or —CH 2 -tetrazole where R 5 is H or benzyl; and n=0 or 1; or a pharmaceutically acceptable salt or ester form thereof.

  这项发明提供了新颖的化合物、药物组合物和治疗哺乳动物血栓性疾病的方法，这些化合物具有以下结构式：1其中：Ar为苯基、萘基、呋喃基、苯并呋喃基、吲哚基、吡唑基、噁唑基、芴基、苯基环烷烃，其中环烷烃可以是环丙基、环丁基、环戊基或环己基，Ar可以选择性地被1至3个来自C1-C6烷基、C1-C6烷氧基、羟基、苯基-(CH2)0-6—、苯基-(CH2)0-6O—、C3-C6环烷基、—(CH2)—C3-C6环烷基、卤素、C1-C3全氟烷基和C1-C3全氟烷氧基的基团取代；R1为氢、C1-C6烷基或苯基-(CH2)1-6—，其中苯基可以被C1-C6烷基、C1-C6烷氧基、卤素、三氟甲基或三氟甲氧基取代；R2和R3为H、C1-C6烷基、苯基-(CH2)0-3—、卤素和C1-C3全氟烷基，其中苯基可以被C1-C6烷基、C1-C6烷氧基、卤素、三氟甲基或三氟甲氧基取代；R4为—CHR5CO2H或—CH2-四唑基，其中R5为H或苄基；n=0或1；或其药用可接受的盐或酯形式。
• Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1)
  申请人：Besidski Yevgeni

  公开号：US20060223868A1

  公开（公告）日：2006-10-05

  Compounds of formula I, wherein R 1 , n, R 3 , R 4 , R 7 , R 8 and P are as defined in the specification, salts, solvates or solvated salts thereof, processes for their preparation, new intermediates used in the preparation thereof, pharmaceutical compositions containing said compounds and the use of said compounds in therapy.

  本发明涉及公式I的化合物，其中R1，n，R3，R4，R7，R8和P如规范中所定义，以及其盐，溶剂合物或溶剂化盐，制备它们的方法，用于制备中使用的新中间体，含有上述化合物的制药组合物以及上述化合物在治疗中的使用。
• PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS
  申请人：Packer Martin John

  公开号：US20090221663A1

  公开（公告）日：2009-09-03

  A compound of Formula (I): and pharmaceutically-acceptable salts thereof wherein the variable groups are defined within; their use in the inhibition of 11βHSD1, processes for making them and pharmaceutical compositions comprising them are also described.

  公式（I）的化合物及其药学上可接受的盐，其中可变基团在其内部定义；还描述了它们在抑制11βHSD1方面的用途，制造它们的过程以及包含它们的制药组合物。
• Chemical compounds
  申请人：AstraZeneca AB

  公开号：US07816391B2

  公开（公告）日：2010-10-19

  A compound of formula (I): and pharmaceutically-acceptable salts thereof wherein the variable groups are defined within; their use in the inhibition of 11βHSD1, processes for making them and pharmaceutical compositions comprising them are also described.

  公式（I）的化合物及其药学上可接受的盐，其中变量基团的定义如下；还描述了它们在抑制11βHSD1方面的用途，制造它们的过程以及包含它们的制药组合物。