2-羟甲基吡嗪 | 6705-33-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-羟甲基吡嗪
• 中文别名: 2-吡嗪基甲醇
• 英文名称: pyrazin-2-ylmethanol
• 英文别名: 2-pyrazinylmethanol；2-Hydroxymethylpyrazine；2-pyrazinemethanol
• CAS: 6705-33-5
• 化学式: C₅H₆N₂O
• mdl: MFCD27756475
• 分子量: 110.115
• InChiKey: LFCWHDGQCWJKCG-UHFFFAOYSA-N

物化性质

• 熔点：
  38.5
• 沸点：
  60°C/0.2mmHg(lit.)
• 密度：
  1.227±0.06 g/cm3(Predicted)
• 最大波长(λmax)：
  265nm(EtOH)(lit.)
• LogP：
  -0.181 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  -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：
  0.2
• 拓扑面积：
  46
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25,S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  0-10°C

SDS

Name:	2-Pyrazinylmethanol 97% Material Safety Data Sheet
Synonym:
CAS:	6705-33-5

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

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6705-33-5	2-Pyrazinylmethanol	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6705-33-5: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 38.5 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: C5H6N2O
Molecular Weight: 110.12

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6705-33-5: UQ3625000 LD50/LC50:
Not available.
Carcinogenicity:
2-Pyrazinylmethanol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 6705-33-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6705-33-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6705-33-5 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

制备方法与用途

2-羟甲基吡嗪可以作为有机合成中间体和医药中间体，主要应用于实验室研发和化工生产过程。

反应信息

• 作为反应物：
  描述：

  2-羟甲基吡嗪 在 偶氮二甲酸二异丙酯 、 一水合肼 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 50.0h， 生成 2-胺甲基吡嗪
  参考文献：
  名称：

  自旋交叉复合物的靶向结构修饰：吡啶与吡嗪

  摘要：

  摘要 2-(氨基甲基)吡嗪由2-吡嗪羧酸通过五个步骤制备。从这个关键的胺，两个新的双三唑基配体，其特征是侧基吡嗪基团，PZMAT 和 PZMPT（4-氨基-和 4-吡咯基-3,5-双{[（2-吡咯甲基）氨基]甲基}- 4H-1,2,4-三唑）及其两种双核配合物，[FeII2(PZMAT)2](BF4)4∙MeOH∙2H2O (1∙MeOH∙2H2O) 和 [FeII2(PZMPT)2] (BF4)4∙3H2O (2∙3H2O)，已制备。2∙3.5MeCN 上 100 K 的结构测定证实配体采用预期的结合模式，为两个铁 (II) 中心和它们之间的两个 N1,N2-三唑桥提供所有十二个供体。两者都经历逐渐不完全的自旋转变：在室温下，1∙MeOH∙2H2O 和 2∙3H2O 约为三分之二到四分之三 [HS-HS]，在 50 K 时下降到大部分为“[HS-LS]”。2 的结构测定和穆斯堡尔光谱定性地支持了这一点。这些发现与在类似的

  DOI：

  10.1080/10610278.2017.1358449
• 作为产物：
  描述：

  2-甲基吡嗪 在 sodium hydroxide 、 双氧水 、 溶剂黄146 作用下， 生成 2-羟甲基吡嗪
  参考文献：
  名称：

  Some Diazine-N-oxides¹

  摘要：

  DOI：

  10.1021/jo01105a003

文献信息

• [EN] NEW COMPOUNDS I<br/>[FR] COMPOSÉS INÉDITS I
  申请人：BIOVITRUM AB PUBL

  公开号：WO2010031789A1

  公开（公告）日：2010-03-25

  The present invention relates to compounds of formula (I) and their pharmaceutically acceptable salts, solvates, hydrates, geometrical isomers, tautomers, optical isomers or N-oxides, which are inhibitors of SSAO activity. The invention further relates to pharmaceutical compositions comprising these compounds and to the use of these compounds for the treatment of medical conditions wherein inhibition of SSAO activity is beneficial, such as inflammatory diseases and immune disorders.

  本发明涉及式(I)的化合物及其药用可接受的盐、溶剂合物、水合物、几何异构体、互变异构体、光学异构体或N-氧化物，这些化合物是SSAO活性的抑制剂。该发明还涉及包含这些化合物的药物组合物，以及利用这些化合物治疗抑制SSAO活性有益的医疗状况，如炎症性疾病和免疫紊乱。
• [EN] NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX DÉRIVÉS DE THIÉNOPYRIMIDINE, PROCÉDÉ POUR LEUR PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SERVIER LAB

  公开号：WO2015097123A1

  公开（公告）日：2015-07-02

  Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, R12, X, A and n are as defined in the description.

  式（I）的化合物：其中R1、R2、R3、R4、R5、R6、R7、R12、X、A和n的定义如描述中所述。
• [EN] 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE LA 3-PHOSPHOGLYCÉRATE DÉSHYDROGÉNASE ET LEURS UTILISATIONS
  申请人：RAZE THERAPEUTICS INC

  公开号：WO2017156181A1

  公开（公告）日：2017-09-14

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• [EN] IMIDAZOTRIAZINONE COMPOUNDS<br/>[FR] COMPOSÉS IMIDAZOTRIAZINONES
  申请人：ENVIVO PHARMACEUTICALS INC

  公开号：WO2012040230A1

  公开（公告）日：2012-03-29

  The present invention provides imidazotriazinone compounds which are inhibitors of phosphodiesterase 9. The present invention further provides processes, pharmaceutical compositions, pharmaceutical preparations and pharmaceutical use of the compounds in the treatment of PDE9 associated diseases or disorders in mammals, including CNS or neurodegeneration disorder.

  本发明提供了嘧啶三唑酮类化合物，这些化合物是磷酸二酯酶9的抑制剂。本发明还提供了在治疗哺乳动物中PDE9相关疾病或紊乱，包括中枢神经系统或神经退行性疾病中使用这些化合物的方法、药物组合物、药物制剂和药物用途。
• Discovery of novel 20S proteasome inhibitors by rational topology-based scaffold hopping of bortezomib
  作者：Yulong Xu、Xicheng Yang、Yiyi Chen、Hao Chen、Huijiao Sun、Wei Li、Qiong Xie、Linqian Yu、Liming Shao

  DOI：10.1016/j.bmcl.2018.05.018

  日期：2018.7

  A series of structurally novel proteasome inhibitors 1–12 have been developed based rational topology-based scaffold hopping of bortezomib. Among these novel proteasome inhibitors, compound 10 represents an important advance due to the comparable proteasome-inhibitory activity (IC50 = 9.7 nM) to bortezomib (IC50 = 8.3 nM), the remarkably higher BEI and SEI values and the effectiveness in metabolic

  基于硼替佐米的基于合理拓扑的支架跳跃，已经开发了一系列结构新颖的蛋白酶体抑制剂1 – 12。在这些新型蛋白酶体抑制剂中，化合物10代表了一项重要的进步，因为它具有 与硼替佐米相当的蛋白酶体抑制活性（IC 50 = 9.7 nM）（IC 50  = 8.3 nM），明显更高的BEI和SEI值以及对代谢稳定性的有效性。因此，化合物10提供了适合进一步优化的出色引线。