4-羟甲基咪唑盐酸盐 | 32673-41-9

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-羟甲基咪唑盐酸盐
• 中文别名: 4(5)-羟甲基咪唑盐酸盐；4-咪唑甲醇盐酸盐；4-羟基甲基咪唑盐酸盐；4(5)-(羟基甲基)咪唑盐酸盐
• 英文名称: 4-hydroxymethyl-1H-imidazole hydrochloride
• 英文别名: 4-(hydroxymethyl)imidazole hydrochloride；(1H-imidazol-4-yl)methanol hydrochloride；4-imidazolemethanol hydrochloride；hydron;1H-imidazol-5-ylmethanol;chloride
• CAS: 32673-41-9
• 化学式: C₄H₆N₂O*ClH
• mdl: MFCD00012697
• 分子量: 134.565
• InChiKey: WFNASTYGEKUMIY-UHFFFAOYSA-N

物化性质

• 熔点：
  110 °C
• 溶解度：
  水中的溶解度：50mg/mL，清澈至微浑浊，无色至黄色
• 稳定性/保质期：
  如果遵照规格使用和储存，则不会分解，未有已知危险反应。避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.99
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  48.9
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 安全说明：
  S26,S36,S37/39
• 危险品运输编号：
  NONH for all modes of transport
• WGK Germany：
  3
• 海关编码：
  2933290090
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Name:	4-(Hydroxymethyl)imidazole hydrochloride 99% Material Safety Data Sheet
Synonym:	1H-Imidazol-4-ylmethanol hydrochloride
CAS:	32673-41-9

Section 1 - Chemical Product MSDS Name:4-(Hydroxymethyl)imidazole hydrochloride 99% Material Safety Data Sheet
Synonym:1H-Imidazol-4-ylmethanol hydrochloride

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
32673-41-9	4-(Hydroxymethyl)imidazole hydrochlori	99%	251-150-0

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.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
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. Can produce delayed pulmonary edema.
Chronic:
No information found.

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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.
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. 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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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# 32673-41-9: 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:
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: Crystalline powder
Color: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 108-111 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: C4H6N2O.HCl
Molecular Weight: 134.57

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
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# 32673-41-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(Hydroxymethyl)imidazole 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 32673-41-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 32673-41-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 32673-41-9 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

制备方法与用途

用途：合成含有咪唑基团的模拟肽抑制剂。

反应信息

• 作为反应物：
  描述：

  4-羟甲基咪唑盐酸盐 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 6.0h， 以99%的产率得到4-(氯甲基)-1H-咪唑盐酸盐
  参考文献：
  名称：

  促甲状腺激素释放激素的次膦酸酯类似物的合成。

  摘要：

  通过多步合成策略实现了促甲状腺激素释放激素（TRH）GlpPsi [P（O（OH）] HisProNH2的次膦酸类似物的合成，其中TRH的易裂肽键已被水解稳定的次膦酸键所取代。因此，提供了迄今为止报道的最有效的焦谷氨酰肽酶II（PPII）抑制剂之一（170 nM）。关键的合成步骤是Ugi型缩合反应，直接产生了适当保护的固相肽合成假二肽嵌段FmocGlu（OMe）Psi [P（O）（OH）] His（Tr）OH。焦谷氨酸环的形成是在固相上进行的，因此提供了在固相上合成焦谷氨酰基次膦肽的一般方法。使用这种策略，首次合成了TRH的次膦酸酯类似物。

  DOI：

  10.1021/jo8014215
• 作为产物：
  描述：

  4-(fluoromethyl)-1-trityl-1H-imidazole 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 以99%的产率得到4-(fluoromethyl)imidazole hydrochloride
  参考文献：
  名称：

  Preparation of (Fluoromethyl)- and (Difluoromethyl)imidazoles

  摘要：

  2-(氟甲基)-和2-(二氟甲基)咪唑，以及4-(氟甲基)-和4-(二氟甲基)咪唑已通过对(羟甲基)咪唑或甲酰咪唑前体进行脱氧氟化制备。

  DOI：

  10.1135/cccc20021335

文献信息

• Inhibitors of farnesyl-protein transferase
  申请人：Merck & Co., Inc.

  公开号：US06001835A1

  公开（公告）日：1999-12-14

  The present invention is directed to compounds which inhibit farnesyl-protein transferase (FTase) and the farnesylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting farnesyl-protein transferase and the farnesylation of the oncogene protein Ras.

  本发明涉及抑制法尼基-蛋白转移酶（FTase）和致癌基因蛋白Ras的法尼醇化的化合物。该发明进一步涉及含有本发明化合物的化疗组合物以及用于抑制法尼基-蛋白转移酶和致癌基因蛋白Ras的法尼醇化的方法。
• Method of treating cancer
  申请人：——

  公开号：US20030220241A1

  公开（公告）日：2003-11-27

  The present invention relates to methods of treating cancer using a combination of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase, which methods comprise administering to said mammal, either sequentially in any order or simultaneously, amounts of at least two therapeutic agents selected from a group consisting of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase. The invention also relates to methods of preparing such compositions.

  本发明涉及使用一种PSA共轭物和一种前脂蛋白转移酶抑制剂的组合治疗癌症的方法，该方法包括向所述哺乳动物施用来自以下组中选择的至少两种治疗剂的量，所述组包括一种PSA共轭物和一种前脂蛋白转移酶抑制剂，所述治疗剂可以顺序给药或同时给药。该发明还涉及制备这种组合物的方法。
• Inhibitors of prenyl-protein transferase
  申请人：Merck & Co., Inc.

  公开号：US06441017B1

  公开（公告）日：2002-08-27

  The present invention is directed to macrocyclic compounds which inhibit prenyl-protein transferase (FTase) and the prenylation of the oncogene protein Ras. The invention is further directed to chemothera-peutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及抑制萜基-蛋白转移酶（FTase）和致癌基因蛋白Ras的大环化合物。该发明还涉及含有本发明化合物的化疗组合物以及抑制萜基-蛋白转移酶和致癌基因蛋白Ras的方法。
• Substituted phenyl farnesyltransferase inhibitors
  申请人：——

  公开号：US20020019527A1

  公开（公告）日：2002-02-14

  Compounds of formula (I) 1 or pharmaceutically acceptable salts thereof, inhibit farnesyltransferase. Methods for making the compounds, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds are disclosed.

  式(I)的化合物或其药学上可接受的盐，抑制法尼基转移酶。公开了制备这些化合物的方法，含有这些化合物的药物组合物，以及使用这些化合物进行治疗的方法。
• [EN] (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS<br/>[FR] (AZA) INDAZOLYL-ARYLE SULFONAMIDE ET COMPOSÉS APPARENTÉS ET LEUR UTILISATION DANS LE TRAITEMENT D'ÉTATS MÉDICAUX
  申请人：HIBERCELL INC

  公开号：WO2020210828A1

  公开（公告）日：2020-10-15

  The invention provides (aza)indazolyl-aryl sulfonamide and related compounds, pharmaceutical compositions, and their use in the treatment of medical conditions, such as cancer, and in inhibiting GCN2 activity.

  这项发明提供了(aza)吲哚基芳基磺酰胺及相关化合物、药物组合物，以及它们在治疗医疗状况（如癌症）和抑制GCN2活性中的用途。

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