2,3-二甲基苄胺 | 51586-20-0

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,3-二甲基苄胺
• 中文别名: 2,3-二甲基苯基胺
• 英文名称: 2,3-dimethylbenzylamine
• 英文别名: (2,3-dimethylphenyl)methanamine
• CAS: 51586-20-0
• 化学式: C₉H₁₃N
• 分子量: 135.209
• InChiKey: UKLRWOHZBISUMI-UHFFFAOYSA-N

物化性质

• 沸点：
  118 °C
• 密度：
  0.97

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  AIR SENSITIVE, CORROSIVE
• 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：
  2921499090
• 危险品运输编号：
  UN 2735
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存储条件：2-8°C，避光保存，惰性气体保护。

SDS

Name:	2 3-Dimethylbenzylamine 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	51586-20-0

Section 1 - Chemical Product MSDS Name:2 3-Dimethylbenzylamine 97% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51586-20-0	2,3-Dimethylbenzylamine	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:
Chronic exposure may cause effects similar to those of acute exposure.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. 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:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. Do NOT get water inside containers.

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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. Do not get water inside containers.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Do not allow contact with water. Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store protected from moisture. 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# 51586-20-0: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 101 - 103 deg C @15mmHg
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: C9H13N
Molecular Weight: 135.09

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Moisture sensitive.
Conditions to Avoid:
Exposure to moist air or water.
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# 51586-20-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dimethylbenzylamine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

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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: AMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
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# 51586-20-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51586-20-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51586-20-0 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：

  2,3-二甲基苄胺 在 盐酸 、 氯化亚砜 、 氯仿 、 sodium nitrite 作用下， 生成 2,3-二甲基苄基氯
  参考文献：
  名称：

  Govindachari et al., Chemische Berichte, 1959, vol. 92, p. 1662,1664

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二甲基苯腈 在 lithium aluminium tetrahydride 作用下， 生成 2,3-二甲基苄胺
  参考文献：
  名称：

  Govindachari et al., Chemische Berichte, 1959, vol. 92, p. 1662,1664

  摘要：

  DOI：

文献信息

• 一种多取代吡咯烷酮衍生物的制备方法
  申请人：华侨大学

  公开号：CN110143910B

  公开（公告）日：2022-04-05

  本发明公开了一种多取代吡咯烷酮衍生物的制备方法，包括如下步骤：(1)向经氮气吹扫的反应容器中依次加入碱、铜催化剂、配体、烷基胺、α‑羰基烷基溴、炔烃和有机溶剂，氮气气氛下于80‑120℃反应12‑24h；(2)将步骤(1)所得的物料用硅藻土过滤分离固体杂质，再经二氯甲烷洗涤，得滤液；(3)将步骤(2)所得的滤液进行浓缩，再经过柱层析色谱或薄层色谱，得到所述多取代吡咯烷酮衍生物。本发明可实现胺类与炔烃原位生成的三取代烯烃和叔烷基卤化物之间的Heck反应，从而应用于多取代吡咯烷酮的合成。该反应可以克服底物之间的空间位阻。本发明选用的廉价易得的原料作为合成砌块，收率高，反应条件温和，反应时间短，底物范围广，原子利用率高，实验后处理简单且绿色。
• Src kinase inhibitor compounds
  申请人：Merck & Co., Inc.

  公开号：US06498165B1

  公开（公告）日：2002-12-24

  Pyrimidine compounds (Formula I), or their pharmaceutically acceptable salts, hydrates, solvates, crystal forms and individual diastereomers, and pharmaceutical compositions including the same, which are inhibitors of tyrosine kinase enzymes, and as such are useful in the prophylaxis and treatment of protein tyrosine kinase-associated disorders, such as immune diseases, hyperproliferative disorders and other diseases in which inappropriate protein kinase action is believed to play a role, such as cancer, angiogensis, atheroscelerosis, graft rejection, rheumatoid arthritis and psoriasis.

  嘧啶化合物（化学式I），或其药用可接受的盐、水合物、溶剂合物、晶型和单一对映异构体，以及包括这些化合物的药物组合物，它们是酪氨酸激酶酶的抑制剂，因此在预防和治疗蛋白酪氨酸激酶相关疾病方面具有用处，如免疫疾病、高增殖性疾病和其他认为不当的蛋白激酶作用可能起作用的疾病，如癌症、血管生成、动脉粥样硬化、移植排斥、类风湿性关节炎和牛皮癣。
• Inhibitors of c-Jun N-terminal kinases
  申请人：Liu Gang

  公开号：US20060173050A1

  公开（公告）日：2006-08-03

  The present invention relates to compounds that are inhibitors of c-jun N-terminal kinase 1, 2, or 3 (JNK1, JNK2, or JNK3), compositions containing the compounds and the use of the compounds in the prevention or treatment of disorders regulated by the activation of JNK1, JNK2 and JNK3.

  本发明涉及作为c-jun N-末端激酶1、2或3（JNK1、JNK2或JNK3）抑制剂的化合物，包含这些化合物的组合物以及这些化合物在预防或治疗由JNK1、JNK2和JNK3激活调控的疾病中的用途。
• Method for producing transition metal compounds and their use for the polymerization of olefins
  申请人：——

  公开号：US20030191334A1

  公开（公告）日：2003-10-09

  The invention relates to a method for producing special transition metal compounds, to novel transition metal compounds and to their use for the polymerization of olefins.

  这项发明涉及一种生产特殊过渡金属化合物的方法，新型过渡金属化合物以及它们用于烯烃聚合的用途。
• Urea-containing peptide boronic acids as potent proteasome inhibitors
  作者：Li-Qiang Han、Xia Yuan、Xing-Yu Wu、Ri-Dong Li、Bo Xu、Qing Cheng、Zhen-Ming Liu、Tian-Yan Zhou、Hao-Yun An、Xin Wang、Tie-Ming Cheng、Ze-Mei Ge、Jing-Rong Cui、Run-Tao Li

  DOI：10.1016/j.ejmech.2016.10.023

  日期：2017.1

  A novel class of urea-containing peptide boronic acids as proteasome inhibitors was designed by introducing a urea scaffold to replace an amido bond. Compounds were synthesized and their antitumor activities were evaluated. After two rounds of optimizations, the compound I-14 was found to be a potent proteasome inhibitor. Compared with Bortezomib, I-14 showed higher potency against the chymotrypsin-like

  通过引入尿素支架取代酰胺键，设计了一类新型的含尿素的肽硼酸作为蛋白酶体抑制剂。合成化合物并评估其抗肿瘤活性。经过两轮优化后，发现化合物I-14是有效的蛋白酶体抑制剂。与Bortezomib相比，I-14对人20S蛋白酶体的胰凝乳蛋白酶样活性具有更高的效力（IC 50  <1 pM），对四种不同癌细胞系具有相似的效力（IC 50  <10 nM），并且具有更好的药代动力学特征。此外，I-14在Bel7404小鼠异种移植模型中显着抑制了肿瘤的生长。I-14对蛋白酶体的优异抑制作用 通过对接和分子动力学研究进行了合理化。