二甲基氨基丙基乙基碳酰胺 | 22572-40-3

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 二甲基氨基丙基乙基碳酰胺
• 中文别名: EDC甲基碘化物；1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐；1-(3-二甲基氨丙基)-3-乙基碳酰亚胺氢碘酸盐；1-(3-二甲氨丙基)-3-乙基碳二亚胺甲碘盐；1-(3-二甲基氨丙基)-3-乙基碳二亚胺甲碘盐
• 英文名称: 1-[3-(dimethylamino)propyl]-3-ethylcarbodiimide methiodide
• 英文别名: EDC methiodide
• CAS: 22572-40-3
• 化学式: C₉H₂₀N₃*I
• 分子量: 297.182
• InChiKey: AGSKWMRPXWHSPF-UHFFFAOYSA-M

物化性质

• 熔点：
  97-99 °C(lit.)
• 密度：
  1.3860 (estimate)
• 稳定性/保质期：
  如果按照规格正确使用和储存，则不会分解。应避免接触水分、潮湿、氧化物以及光线。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.72
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37
• 危险类别码：
  R20/21/22
• WGK Germany：
  3

SDS

Name:	1-(3-Dimethylaminopropyl)-3-Ethylcarbodiimide Methiodide 98% Material Safety Data Sheet
Synonym:	None Known
CAS:	22572-40-3

Section 1 - Chemical Product MSDS Name:1-(3-Dimethylaminopropyl)-3-Ethylcarbodiimide Methiodide 98% Material Safety Data Sheet
Synonym:None Known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
22572-40-3	1-(3-Dimethylaminopropyl)-3-Ethylcarbo	98%	245-095-1

Hazard Symbols: XI
Risk Phrases: 36/37/38

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

---

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.

---

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 water spray, dry chemical, carbon dioxide, or chemical foam.

---

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.

---

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.

---

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# 22572-40-3: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: 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: 97 - 99 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: 50 g/l water
Specific Gravity/Density:
Molecular Formula: C9H20IN3
Molecular Weight: 297.0646

---

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, light, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen iodide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 22572-40-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(3-Dimethylaminopropyl)-3-Ethylcarbodiimide Methiodide - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

---

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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 22572-40-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22572-40-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22572-40-3 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

用途
1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐主要用作多肽、蛋白质和核苷酸合成中的脱水剂，同时也是一种交联试剂，用于促进酰胺键形成的交联反应。

反应信息

• 作为反应物：
  描述：

  环己基乙酸 、 二甲基氨基丙基乙基碳酰胺 以 甲醇 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  石油馏分的酸选择性质谱分析

  摘要：

  摘要 环烷酸是环脂族羧酸，是石油的天然成分。针对羧酸的分析质谱方法往往涉及去质子化以产生羧酸根阴离子，但也会产生混合物中每种酸性成分的可检测离子。带电标记碳二亚胺能够通过串联电喷雾电离质谱法促进对模型环烷酸以及石油馏分中低水平环烷酸的检测。这种方法比去质子化具有更高的选择性，并且在快速衍生化步骤后，无需使用色谱分离，即可显示石油馏分的酸性成分。该方法在表征复杂基质的环烷酸组分的背景下可能证明是有用的。

  DOI：

  10.1016/j.ijms.2018.10.029
• 作为产物：
  描述：

  1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 碘甲烷 以 二氯甲烷 为溶剂， 反应 1.0h， 以81.2%的产率得到二甲基氨基丙基乙基碳酰胺
  参考文献：
  名称：

  一种1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷的合成方法

  摘要：

  本发明的一种1‑乙基‑3‑(3‑二甲胺基丙基)碳二亚胺碘甲烷的合成方法，包括如下步骤：步骤一，一反应釜中加入二氯甲烷溶剂4.3公斤，投入1‑乙基‑3‑(3‑二甲基氨基丙基)‑碳化二亚胺搅拌均匀后，将混合液降至设定温度15℃以下，得到混合溶液A；步骤二，在混合溶液A中滴加碘甲烷，控制混合溶液A与碘甲烷的反应温度为15℃～25℃，滴加碘甲烷结束后继续反应1小时，其反应温度控制在25℃以下，得到混合溶液B；步骤三，混合溶液B加入石油醚溶剂，保温2小时，温度控制在25℃以下；步骤四，将步骤三反应生成的物料真空干燥，得到1‑乙基‑3‑(3‑二甲基氨基丙基)‑碳化二亚胺碘甲烷成品。

  公开号：

  CN108892626A
• 作为试剂：
  描述：

  2,2'-((3ar,6ar)-2,5-dioxo-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazole-1,6-diyl)diacetic acid 、 五氟苯酚 在 4-二甲氨基吡啶 二甲基氨基丙基乙基碳酰胺 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 以79%的产率得到
  参考文献：
  名称：

  Glycoluril core molecules for combinatorial libraries

  摘要：

  本发明提供了用作组合化学中核心分子的新型甘氨酰脲衍生物。本发明的核心分子可以包含从一个到六个构建块。首选的构建块是取代胺基团。还提供了含有这种核心分子的组合式文库。

  公开号：

  US06939973B1

文献信息

• Lipid derivatives of polythiourea
  申请人：——

  公开号：US20030065033A1

  公开（公告）日：2003-04-03

  The present invention relates to novel compounds which make it possible to transfer nucleic acids into cells. These novel compounds are lipid derivatives of polythiourea. They are useful for the in vitro, ex vivo or in vivo transfection of nucleic acids into various cell types.

  本发明涉及一种新型化合物，可以将核酸转移至细胞内。这些新型化合物是聚硫脲的脂质衍生物。它们适用于体外、体外或体内将核酸转染到各种细胞类型中。
• Process for the preparation of matrix metalloproteinase inhibitors
  申请人：——

  公开号：US20020019539A1

  公开（公告）日：2002-02-14

  The instant invention provides a process for the synthesis of matrix metalloproteinase inhibitors.

  本发明提供一种合成基质金属蛋白酶抑制剂的方法。
• DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION
  申请人：Marcin Lawrence R.

  公开号：US20080194535A1

  公开（公告）日：2008-08-14

  There is provided a series of macrocyclic diaminopropanes of Formula (I) or a stereoisomer; or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , m, n, W, X, Y, Z and L as defined herein, their pharmaceutical compositions and methods of use. These novel compounds inhibit the processing of amyloid precursor protein (APP) by β-secretase and, more specifically, inhibit the production of Aβ-peptide. The present disclosure is directed to compounds useful in the treatment of neurological disorders related to β-amyloid production, such as Alzheimer's disease and other conditions affected by anti-amyloid activity.

  本发明提供了一系列宏环二胺丙烷化合物，其化学式为(I)或其立体异构体；或其药学上可接受的盐，其中R1、R2、R3、m、n、W、X、Y、Z和L的定义如本文所述，以及它们的制药组合物和使用方法。这些新型化合物能够抑制β-分泌酶对淀粉样前体蛋白(APP)的加工，更具体地说，能够抑制Aβ肽的产生。本公开的内容涉及用于治疗与β-淀粉样蛋白产生相关的神经疾病，例如阿尔茨海默病和其他受抗淀粉样蛋白活性影响的疾病的化合物。
• Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors
  申请人：Bamborough Paul

  公开号：US20090023725A1

  公开（公告）日：2009-01-22

  Compounds of formula (I): are inhibitors of p38 kinase and are useful in the treatment of conditions or disease states mediated by p38 kinase activity or mediated by cytokines produced by the activity of p38.

  公式（I）的化合物是p38激酶的抑制剂，可用于治疗由p38激酶活性介导或由p38活性产生的细胞因子介导的疾病状态或疾病状态。
• Highly conducting and transparent thin films formed from new fluorinated derivatives of 3,4-ethylenedioxythiophene
  申请人：Martin Brett D.

  公开号：US06867281B2

  公开（公告）日：2005-03-15

  A compound comprising the formula: wherein R 1 is a fluorinated organic group and R 2 and R 3 are independently selected organic groups. A compound comprising the formula: wherein R 1 is a fluorinated organic group and R 2 and R 3 are independently selected organic groups.

  化合物的公式为：其中R1为氟化有机基团，R2和R3为独立选择的有机基团。化合物的公式为：其中R1为氟化有机基团，R2和R3为独立选择的有机基团。

表征谱图