2-甲胺基嘧啶 | 75985-45-4

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-甲胺基嘧啶
• 中文别名: 嘧啶-2-基甲胺；2-嘧啶甲烷胺；2-氨甲基嘧啶
• 英文名称: 2-aminomethylpyrimidine
• 英文别名: pyrimidin-2-ylmethanamine；pyrimidin-2-ylmethylamine；1-(pyrimidin-2-yl)methanamine；2-Pyrimidinemethanamine
• CAS: 75985-45-4
• 化学式: C₅H₇N₃
• mdl: MFCD06212857
• 分子量: 109.131
• InChiKey: ROSKZJGILXBSFM-UHFFFAOYSA-N

物化性质

• 溶解度：
  氯仿（微溶）、甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 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：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Name:	2-Aminomethylpyrimidine Material Safety Data Sheet
Synonym:	None
CAS:	75985-45-4

Section 1 - Chemical Product MSDS Name:2-Aminomethylpyrimidine Material Safety Data Sheet
Synonym:None

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
75985-45-4	2-Aminomethylpyrimidine	ca 100	unlisted

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

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Vapors may cause dizziness or suffocation.
Chronic:
No information found.

---

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. 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.
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:

---

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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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# 75985-45-4: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: pale yellow - colorless viscous
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C5H7N3
Molecular Weight: 109.0691

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen oxides (NOx) and ammonia (NH3).
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 75985-45-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Aminomethylpyrimidine - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 75985-45-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 75985-45-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 75985-45-4 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法

医药中间体。

用途简介

暂无相关信息。

反应信息

• 作为反应物：
  描述：

  2-甲胺基嘧啶 在 咪唑 、 三乙胺 作用下， 以 氯仿 、 甲苯 、 乙腈 为溶剂， 反应 19.2h， 生成 阿伐那非
  参考文献：
  名称：

  艾瓦那非

  摘要：

  本发明提供了一种艾瓦那非中间体A和中间体B，以及艾瓦那非中间体A、B和艾瓦那非的合成方法。艾瓦那非的合成方法包括如下步骤：式（I）化合物在-10～5℃时与2-甲胺基嘧啶反应得艾瓦那非中间体A；然后在0～3℃时与3-氯-4-甲氧基苄胺搅拌反应0.2～0.4小时得艾瓦那非中间体B；将艾瓦那非中间体B与L-脯氨醇在室温条件下搅拌反应18～22小时得艾瓦那非。其中艾瓦那非中间体A和B，以及式（I）化合物的结构式如下：本发明的艾瓦那非中间体A、B结构简单，产品质量好；合成方法的成本低；整个过程的合成路线短，反应步骤少，不仅缩短了反应时间，还提高了艾瓦那非中间体A、B以及艾瓦那非的收率和纯度。

  公开号：

  CN103483323B
• 作为产物：
  描述：

  2-氰基嘧啶 在 Pd-C 、 氨 氢气 作用下， 以 乙醇 为溶剂， 生成 2-甲胺基嘧啶
  参考文献：
  名称：

  7-azaisoindolinyl-quinolone-carboxylic acid derivatives

  摘要：

  这项发明涉及新的喹诺酮羧酸衍生物，其在7位被一个可选择部分氢化的氮杂异吲哚环取代，以及它们的制备过程，以及含有它们的抗菌剂和饲料添加剂。

  公开号：

  US05312823A1
• 作为试剂：
  描述：

  4-((3-氯-4-甲氧基苄基)氨基)-2-(甲硫基)嘧啶-5-羧酸 、 2-甲胺基嘧啶 在 2-甲胺基嘧啶 作用下， 以85的产率得到4-[(3-chloro-4-methoxybenzyl)amino]-2-methylthio-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide
  参考文献：
  名称：

  一种新的用于制备阿伐那非的中间体及其制备方法

  摘要：

  本发明提供了一种新的中间体Ⅳ，用于制备阿伐那非，该中间体具有如下通式Ⅳ： 式中R代表以下基团：C 1 -C 20 的烷基亚磺酰基、C 1 -C 20 的烷基磺酰基。该中间体纯度高、适合工业化生产，可经过一步化学反应得到阿伐那非。本发明同时提供了该中间体的制备方法，及利用该中间体制备阿伐那非的方法。

  公开号：

  CN104059025A

文献信息

• Transforming Benzylic Amines into Diarylmethanes: Cross-Couplings of Benzylic Pyridinium Salts via C–N Bond Activation
  作者：Jennie Liao、Weiye Guan、Brian P. Boscoe、Joseph W. Tucker、John W. Tomlin、Michelle R. Garnsey、Mary P. Watson

  DOI：10.1021/acs.orglett.8b01062

  日期：2018.5.18

  nickel-catalyzed cross-coupling of benzylic pyridinium salts with arylboronic acids was developed. Coupled with chemoselective pyridinium formation, this method allows benzyl primary amines to be efficiently converted to di(hetero)arylmethanes. Excellent heteroaryl and functional group tolerance is observed, and a one-pot procedure enables benzylic amines to be converted to diarylmethanes directly.

  开发了镍催化的苄基吡啶鎓盐与芳基硼酸的交叉偶联。结合化学选择性吡啶鎓的形成，该方法可使苄基伯胺有效地转化为二（杂）芳基甲烷。观察到优异的杂芳基和官能团耐受性，一锅法可使苄基胺直接转化为二芳基甲烷。
• Aminoheteroaryl benzamides as kinase inhibitors
  申请人：Bagdanoff Jeffrey T.

  公开号：US09242996B2

  公开（公告）日：2016-01-26

  The present invention provides a compound of Formula (I) or a salt thereof; and therapeutic uses of these compounds. The present invention further provides pharmaceutical compositions comprising these compounds, and compositions comprising these compounds with a therapeutic co-agent.

  本发明提供了化合物的化合物（I）或其盐； 以及这些化合物的治疗用途。本发明还提供了包含这些化合物的药物组合物，以及包含这些化合物与治疗辅助剂的组合物。
• Engaging Alkenes and Alkynes in Deaminative Alkyl–Alkyl and Alkyl–Vinyl Cross-Couplings of Alkylpyridinium Salts
  作者：Kristen M. Baker、Diana Lucas Baca、Shane Plunkett、Mitchell E. Daneker、Mary P. Watson

  DOI：10.1021/acs.orglett.9b03899

  日期：2019.12.6

  An alkyl-alkyl cross-coupling of Katritzky alkylpyridinium salts and organoboranes, formed in situ via hydroboration of alkenes, has been developed. This method utilizes the abundance of both alkyl amine precursors and alkenes to form C(sp3)-C(sp3) bonds. This strategy is also effective with alkynes, enabling a C(sp3)-C(sp2) cross-coupling. Under these mild conditions, a broad range of functional groups

  已经开发了通过烯烃的氢硼化原位形成的卡特立斯基烷基吡啶鎓盐和有机硼烷的烷基-烷基交叉偶联。此方法利用烷基胺前体和烯烃的丰度来形成C（sp3）-C（sp3）键。此策略对炔烃也有效，可实现C（sp3）-C（sp2）交叉偶联。在这些温和的条件下，可以耐受包括质子基团在内的各种官能团。如以前的烷基吡啶鎓交叉偶联所见，机理研究支持烷基自由基中间体。
• [EN] THIAZOLECARBOXAMIDE DERIVATIVES FOR USE AS NAMPT INHIBITORS<br/>[FR] DÉRIVÉS DE THIAZOLECARBOXAMIDE UTILES EN TANT QU'INHIBITEURS DE LA NAMPT
  申请人：ABBVIE INC

  公开号：WO2013170118A1

  公开（公告）日：2013-11-14

  Disclosed are compounds which inhibit the activity of NAMPT, compositions containing the compounds and methods of treating diseases during which NAMPT is expressed.

  揭示了抑制NAMPT活性的化合物，包含这些化合物的组合物以及治疗NAMPT表达期间的疾病的方法。
• [EN] SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS SPIROLACTAMES D'UN RÉCEPTEUR NMDA ET LEURS UTILISATIONS
  申请人：NAUREX INC

  公开号：WO2014120783A1

  公开（公告）日：2014-08-07

  Disclosed are compounds having enhanced potency in the modulation of NMD A receptor activity. Such compounds are contemplated for use in the treatment of conditions such as depression and related disorders. Orally available formulations and other pharmaceutically acceptable delivery forms of the compounds, including intravenous formulations, are also disclosed.

  揭示了在调节NMDA受体活性方面具有增强效力的化合物。这些化合物可用于治疗抑郁症和相关疾病。此外，还披露了口服制剂和其他药用可接受的化合物给药形式，包括静脉注射制剂。