2-甲基-5-氨基-2H-四氮唑 | 6154-04-7

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯硼酸系列
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-甲基-5-氨基-2H-四氮唑
• 中文别名: 5-氨基-2-甲基1H-四唑；2-甲基-5-氨基-2H-四唑；2-甲基-5-氨基-2氢-四氮唑；2-甲基-5-氨基-1氢-四氮唑；5-氨基-2-甲基-2H-四唑；5-氨基-2-甲基-1H-四唑；2-甲基-5-氨基四氮唑
• 英文名称: 2-methyl-2H-tetrazole-5-amine
• 英文别名: 2-methyl-5-aminotetrazole；2-methyl-2H-tetrazol-5-amine；5-amino-2-methyltetrazole；5-amino-2-methyl-2H-tetrazole；2-Methyl-5-amino-tetrazol；5-Amino-2-methyl-tetrazol；2-methyltetrazol-5-amine
• CAS: 6154-04-7
• 化学式: C₂H₅N₅
• mdl: MFCD01819831
• 分子量: 99.0952
• InChiKey: AZUKLCJYWVMPML-UHFFFAOYSA-N

物化性质

• 熔点：
  104.5-105.5 °C
• 沸点：
  282.9±23.0 °C(Predicted)
• 密度：
  1.75±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 包装等级：
  II
• 危险类别：
  4.1
• 危险性防范说明：
  P210,P233,P240,P241,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P330,P332+P313,P337+P313,P340,P362,P370+P378,P403,P403+P233,P405,P501
• 危险品运输编号：
  1325
• 危险性描述：
  H228,H302,H315,H319,H335
• 储存条件：
  | 室温 |

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 5-Amino-2-methyl-2h-tetrazole
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 5-Amino-2-methyl-2h-tetrazole
CAS number: 6154-04-7

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C2H5N5
Molecular weight: 99.1

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

2-甲基-5-氨基-2H-四氮唑可作为有机合成中间体及医药中间体，主要应用于实验室研发和化工医药的生产过程。

反应信息

• 作为反应物：
  描述：

  2-甲基-5-氨基-2H-四氮唑 在 硫酸 作用下， 以 水 为溶剂， 以90%的产率得到2-methyl-5-aminotetrazolium sulfate
  参考文献：
  名称：

  双（胍盐）和双（氨基四唑）十二烷基硼氢酸盐的制备和表征：绿色高能氮和富硼化合物

  摘要：

  摘要本文描述了含胍基和氨基四唑鎓阳离子的十二烷基十二硼酸氢硼酸盐的合成，结晶，表征和能量性质（量热法）。根据十二氢硼酸盐的水溶性，通过复分解（离子交换）反应可以容易地以高收率生产这些盐。水不溶性盐可以通过与所需有机阳离子的相应卤化物的简单复分解反应由钾盐或钠盐合成。可以通过两个连续的复分解反应制备水溶性盐：首先将卤化物转化为相应的硫酸盐，然后使其与十二氢硼酸钡反应，生成水溶性有机closo（B12H12）2-盐和不溶的BaSO4。通过水蒸发方便地分离出产物盐。当从DMF和NMP中重结晶时，氨基四唑盐12d会生成漂亮的晶体，但会掺入溶剂。胍盐15a可以从水中很好地重结晶为一水合物。热重分析确定了这些化合物的热稳定性。使用恒定体积炸弹量热法测定代表性盐的燃烧焓。数据表明，这些盐具有较高的燃烧热（ΔUc，约35 kJ·g-1），并且有潜力用作绿色高能材料。热重分析确定了这些化合物的热稳定性。使用

  DOI：

  10.1016/j.poly.2018.09.055
• 作为产物：
  描述：

  N-(2-甲基四唑-5-基)邻苯二甲酰亚胺 在 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以84%的产率得到2-甲基-5-氨基-2H-四氮唑
  参考文献：
  名称：

  Energetic Salts of Low‐Symmetry Methylated 5‐Aminotetrazoles

  摘要：

  AbstractIonic salts containing the novel 5‐amino‐2‐methyl‐ and 5‐amino‐1,3‐dimethyltetrazolium cations with energetic anions (perchlorate, nitrate, azide and dinitramide) have been synthesized in high yields and purities and fully characterized. A full structural description by spectroscopic methods (vibrational and 15N NMR spectroscopy) and X‐ray analysis is given. Unexpectedly, salts based on the asymmetric 5‐amino‐1,3‐dimethyltetrazolium cation have higher densities than analogue compounds containing the isomeric 5‐amino‐1,4‐dimethyltetrazolium cation, regardless of the lower symmetry of the former. This can be attributed to secondary interactions between the cation and anion and is reflected in the higher detonation parameters of the new compounds, which represent a new class of nitrogen‐rich, high‐performing materials with low sensitivity and good potential for energetic applications. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)

  DOI：

  10.1002/ejic.200800995

文献信息

• Dibenzyl Amine Compounds and Derivatives
  申请人：Chang George

  公开号：US20070213371A1

  公开（公告）日：2007-09-13

  Dibenzyl amine compounds and derivatives, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases in some mammals, including humans.

  二苯基胺化合物及其衍生物，含有这种化合物的药物组合物以及使用这种化合物提高某些血浆脂质水平，包括高密度脂蛋白胆固醇，并降低其他一些血浆脂质水平，如低密度脂蛋白胆固醇和甘油三酯，并据此治疗由高密度脂蛋白胆固醇水平低和/或低密度脂蛋白胆固醇和甘油三酯水平高加重的疾病，如动脉粥样硬化和心血管疾病在某些哺乳动物，包括人类。
• Molecular structure of nitrogen-linked methyltetrazole-saccharinates
  作者：Amin Ismael、José António Paixão、Rui Fausto、Maria Lurdes S. Cristiano

  DOI：10.1016/j.molstruc.2012.04.018

  日期：2012.9

  0737 A, α = 96.517°, β = 107.543°, γ = 99.989°; Z = 2), 1-methyltetrazole-saccharinate units assume the most stable configuration for the isolated molecule, (1H)-1-methytetrazole iminosaccharin tautomeric form (1MTIS), with the N C spacer linking the two heterocycles. On the other hand, neat crystalline 2-methyl derivative units (space group P 1 ¯ , a = 7.8010 A, b = 8.6724 A, c = 9.4984 A, α = 114.083°

  摘要 利用 X 射线晶体学、红外和拉曼光谱研究了结晶相中氮连接的 1-和 2-甲基四唑糖精的分子结构，并辅以在 DFT(B3LYP)/6-31 上进行的量子化学计算。 ++G(d,p) 孤立分子的理论水平。在纯结晶固体中（空间群 P 1¯ , a = 6.9763 A, b = 8.3097 A, c = 10.0737 A, α = 96.517°, β = 107.543°, γ = 99.989°; Z = 2-甲基四唑），1-甲基四唑-糖精单位假定分离分子的最稳定构型，(1H)-1-甲基四唑亚氨基糖精互变异构形式 (1MTIS)，NC 间隔基连接两个杂环。另一方面，纯结晶 2-甲基衍生单元（空间群 P 1¯ , a = 7.8010 A, b = 8.6724 A, c = 9.4984 A, α = 114.083°, β = 107.823°, γ = 93.080°；Z = 2)
• 2-Methyl-substituted monotetrazoles in copper(<scp>ii</scp>) perchlorate complexes: manipulating coordination chemistry and derived energetic properties
  作者：Lukas Zeisel、Norbert Szimhardt、Maximilian H. H. Wurzenberger、Thomas M. Klapötke、Jörg Stierstorfer

  DOI：10.1039/c8nj05375h

  日期：——

  correlation between coordination chemistry and deduced energetic properties (thermal behaviour, and sensitivities towards mechanical and optical stimuli) of copper(II) complexes is investigated. Starting from a system comprising Cu(ClO4)2 and either of the ligands 2-methyl-5-aminotetrazole (1, 2-MAT) or 2-methyl-5H-tetrazole (2, 2-MTZ), typically altered parameters like the metal(II) centre, ligand, or

  研究了配位化学与推断的铜（II）配合物的能量性质（热行为以及对机械和光学刺激的敏感性）之间的拟议相关性。从包含Cu（CLO的系统开始4）2和任一配体的2-甲基-5-氨基四唑（1，2-MAT）或2-甲基-5- ħ四唑（2，2- MTZ），典型地改变参数像金属（II）中心，配体或抗衡离子已预先定义。取而代之的是，仅对配体浓度和溶剂体系进行了微小的改变，以便深入了解这种类型的能量配位化合物（ECC）的结构与性质之间的关系。结果，五个高能络合物[Cu（H 2 O）2（2-MAT）4 ]（ClO 4）2 ·H 2 O（3），[Cu（H 2 O）2（2-MAT）4 ]（ClO 4）2（4），[Cu（H 2 O）2（2-MAT）4 ]（ClO 4）2 ·2 2-MAT（ 5），[Cu（ClO 4） 2（H 2 O） 2（2-MAT） 2 ]（ 6）和[Cu（H 2 O） 2（2-MTZ） 4 ]合成了（ClO
• Substituent-dependent coordination modes of 1-methyl-5-R-tetrazoles in their cupric chloride complexes
  作者：Sergei V. Voitekhovich、Alexander S. Lyakhov、Vadim E. Matulis、Ludmila S. Ivashkevich、Oleg A. Ivashkevich

  DOI：10.1016/j.poly.2019.01.009

  日期：2019.4

  Abstract A series of cupric chloride complexes with 1-methyl-5-R-tetrazole ligands, where R = NH2, t-Bu, Ph, MeS, CH CH2, MeSO2, were synthesized by interaction of CuCl2·2H2O with the above ligands LNH2, LtBu, LPh, LMeS, LVin, and LMeSO2, respectively. The obtained complexes [Cu(LNH2)3Cl2]·H2O (1), [Cu(LtBu)2Cl2] (2), [Cu(LPh)2Cl2] (3), [Cu(LMeS)2Cl2] (4), [Cu(LVin)Cl2]n (5), and [Cu(LMeSO2)(H2O)Cl2]n

  摘要通过CuCl2·2H2O与上述配体LNH2的相互作用，合成了一系列具有1-甲基-5-R-四唑配体的氯化铜配合物，其中R = NH2，t-Bu，Ph，MeS，CH CH2，MeSO2 ，LtBu，LPh，LMeS，LVin和LMeSO2。获得的配合物[Cu（LNH2）3Cl2]·H2O（1），[Cu（LtBu）2Cl2]（2），[Cu（LPh）2Cl2]（3），[Cu（LMeS）2Cl2]（4），[通过单晶X射线分析表征了Cu（LVin）Cl 2] n（5）和[Cu（LMeSO 2）（H 2 O）Cl 2] n（6）。观察到C5-取代基对四唑配体配位方式和配合物结构基序的影响。配合物1-4为单核，具有四唑环N4配位。配合物5呈现一维配位聚合物，其形成是以两个相邻铜（II）阳离子之间的三桥（双氯桥和四唑环N3，N4-桥）为代价的。在6 作为一维配位聚合物，配位链由交替的Cu（LMeSO2）
• Dibenzylamine compound and medicinal use thereof
  申请人：Maeda Kimiya

  公开号：US20050059810A1

  公开（公告）日：2005-03-17

  A dibenzylamine compound represented by the formula (1) wherein R 1 and R 2 are each a C 1-6 alkyl group optionally substituted by halogen atoms and the like; R 3 , R 4 and R 5 are each a hydrogen atom, a halogen atom and the like, or R 3 and R 4 may form, together with carbon atoms bonded thereto, a homocyclic or heterocyclic ring optionally having substituent(s); A is —N(R 7 ) (R 8 ) and the like; ring B is an aryl group or a heterocyclic residue; R 6 is a hydrogen atom, a halogen atom, a nitro group, a C 1-6 alkyl group and the like; n is an integer of 1 to 3, a prodrug thereof and a pharmaceutically acceptable salt thereof show selective and potent CETP inhibitory activity, and therefore, they can be provided as therapeutic or prophylactic agents for hyperlipidemia or arteriosclerosis and the like.

  一种二苄胺化合物，其化学式如下： 其中，R1和R2分别是C1-6烷基基团，可选择性地被卤原子等取代；R3、R4和R5分别是氢原子、卤原子等，或者R3和R4可以与与之相结合的碳原子一起形成一个具有取代基的同环或异环环；A是-N(R7)(R8)等；环B是芳基或杂环残基；R6是氢原子、卤原子、硝基、C1-6烷基基团等；n是1到3的整数，其前体和药学上可接受的盐表现出选择性和强效的CETP抑制活性，因此，它们可以作为治疗或预防高脂血症或动脉硬化等疾病的药物。

表征谱图