3-(N-苄基-N-甲基)-1,2-丙二醇 | 60278-98-0

• 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: 3-(N-苄基-N-甲基)-1,2-丙二醇
• 中文别名: 3-(N-苄基-N-甲氨基)-1,2-丙烷二醇
• 英文名称: 3-(N-Benzyl-N-methylamino)-1,2-propanediol
• 英文别名: 3-[benzyl(methyl)amino]propane-1,2-diol
• CAS: 60278-98-0
• 化学式: C₁₁H₁₇NO₂
• mdl: MFCD00004715
• 分子量: 195.261
• InChiKey: HGPHYOVGIFFHJB-UHFFFAOYSA-N

物化性质

• 沸点：
  206-206 °C (30 mmHg)
• 密度：
  1.08
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2922199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存于阴凉干燥处

SDS

Name:	3-(N-Benzyl-N-methylamino)-1 2-propanediol 96+% Material Safety Data Sheet
Synonym:
CAS:	60278-98-0

Section 1 - Chemical Product MSDS Name:3-(N-Benzyl-N-methylamino)-1 2-propanediol 96+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
60278-98-0	3-(N-Benzyl-N-methylamino)-1,2-propane	96+	262-144-2

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Moisture sensitive.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.
Chronic:
No information found.

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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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation. Do not get water inside containers.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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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# 60278-98-0: 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:
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Viscous liquid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 206 deg C @ 30.00mm
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0840g/cm3
Molecular Formula: C11H17NO2
Molecular Weight: 195.26

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. Moisture sensitive.
Conditions to Avoid:
Incompatible materials, moisture, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acid chlorides, acid anhydrides, chloroformates.
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# 60278-98-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(N-Benzyl-N-methylamino)-1,2-propanediol - Not listed by ACGIH, IARC, or NTP.

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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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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.
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# 60278-98-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 60278-98-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 60278-98-0 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：

  3-(N-苄基-N-甲基)-1,2-丙二醇 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 18.0h， 生成 3-甲胺基-1,2-丙二醇
  参考文献：
  名称：

  酪氨酸激酶抑制剂。13.被设计为表皮生长因子受体的酪氨酸激酶活性抑制剂的可溶性7-取代的4-取代（4-（（3-溴苯基）氨基）吡啶并[4,3-d]嘧啶）的构效关系。

  摘要：

  4-（苯基氨基）喹唑啉的一般类别是有效的（某些成员的IC50值<< 1 nM），并且是通过在表皮生长因子受体（EGFR）上的竞争性结合而选择性抑制表皮生长因子受体（EGFR）酪氨酸激酶活性的抑制剂。酶，但许多早期类似物的水溶性差（<< 1 mM）。通过将类似的7-氟衍生物与在2-BuOH或1-PrOH水溶液中的合适的胺亲核试剂。评价所有化合物抑制EGF刺激的全长EGFR酶的酪氨酸磷酸化作用的能力。还评估了选定的类似物在培养的A431人表皮样癌细胞中对EGF受体自身磷酸化的抑制作用，以及对小鼠中A431肿瘤异种移植物的抑制作用。带有多种多元醇，阳离子和阴离子可溶取代基的类似物保留了活性，但就增加的水溶性（> 40 mM）和保留总体抑制活性（针对分离的酶的IC50为0.5-10 nM）而言最有效。在A431细胞中抑制EGFR自磷酸化的8-40 nM是弱碱性胺衍生物。这些结果与这些化合物与EGF

  DOI：

  10.1021/jm970366v
• 作为产物：
  描述：

  4-{4-[(Benzyl-methyl-amino)-methyl]-[1,3]dioxolan-2-yl}-6-bromo-7-hydroxy-chromen-2-one 在 calcium chloride potassium chloride 、 sodium chloride 、 4-羟乙基哌嗪乙磺酸 作用下， 以 甲醇 、 水 为溶剂， 生成 3-(N-苄基-N-甲基)-1,2-丙二醇
  参考文献：
  名称：

  使用光不稳定的保护基构建笼蔽二醇的策略。

  摘要：

  笼状生物活性化合物的类似物作为基于细胞的过程的时间和空间控制探针受到了广泛的关注。最近，香豆素-4-基甲基衍生物已被用于笼罩羧酸盐，磺酸盐，氨基甲酸酯和磷酸盐。我们在本文中描述了一种合成策略，该策略提供了光敏笼蔽的二醇，并提供了具有适度离去基团能力的功能性保护/光脱保护。

  DOI：

  10.1021/jo0163851

文献信息

• Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives
  申请人：Sugen. Inc.

  公开号：US20030100555A1

  公开（公告）日：2003-05-29

  The present invention relates to pyrrole substituted 2-indolinone compounds and their pharmaceutically acceptable salts which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及吡咯替代的2-吲哚酮化合物及其药学上可接受的盐，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。
• Multimodal Anion Exchange Matrices
  申请人：GE HEALTHCARE BIO-SCIENCES AB

  公开号：US20150299248A1

  公开（公告）日：2015-10-22

  The invention discloses a separation matrix which comprises a plurality of separation ligands, defined by the formula R 1 -L 1 -N(R 3 )-L 2 -R, immobilized on a support, wherein R 1 is a five- or six-membered, substituted or non-substituted ring structure or a hydroxyethyl or hydroxypropyl group; L 1 is either a methylene group or a covalent bond; R 2 is a five- or six-membered, substituted or non-substituted ring structure; L 2 is either a methylene group or a covalent bond; R 3 is a methyl group; and wherein if R 1 is a hydroxyethyl group and L 1 is a covalent bond, R 2 is a substituted aromatic ring structure or a substituted or non-substituted aliphatic ring structure.

  该发明揭示了一种分离基质，包括多个分离配体，其由公式R1-L1-N(R3)-L2-R所定义，固定在支撑物上，其中R1是一个五元或六元的取代或非取代环结构或一个羟乙基或羟丙基基团；L1是一个亚甲基基团或一个共价键；R2是一个五元或六元的取代或非取代环结构；L2是一个亚甲基基团或一个共价键；R3是一个甲基基团；如果R1是一个羟乙基基团且L1是一个共价键，则R2是一个取代芳香环结构或一个取代或非取代脂环结构。
• Complex cationic lipids having quarternary nitrogens therein
  申请人：Vical Incorporated

  公开号：US06670332B1

  公开（公告）日：2003-12-30

  Cationic lipids having a derivatized quaternary ammonium head group that provide improved cell targeting ability and enhanced transfective efficacy for introducing molecules into cells are provided.

  提供了具有衍生季铵头基的阳离子脂质体，其具有改进的细胞靶向能力和增强的转染效果，可用于向细胞中引入分子。
• Method for preparing high purity diphenyl carbonate
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP0722931A1

  公开（公告）日：1996-07-24

  A method for preparing a high purity diphenyl carbonate. The diphenyl carbonate is distilled in the presence of a basic substance. The present invention provides high purity diphenyl carbonate using a simple method. A high molecular aromatic polycarbonate containing substantially no polymerization inhibitor and without coloring is easily prepared from the purified diphenyl carbonate.

  一种制备高纯度二苯碳酸酯的方法。在碱性物质的存在下，蒸馏二苯碳酸酯。本发明提供了一种使用简单方法制备高纯度二苯碳酸酯的方法。从纯化的二苯碳酸酯可以轻松地制备出高分子芳香族聚碳酸酯，该聚碳酸酯基本不含聚合抑制剂且无色。
• [EN] QUATERNARY AMMONIUM HYDROXIDES<br/>[FR] HYDROXYDES D'AMMONIUM QUATERNAIRE
  申请人：SACHEM INC

  公开号：WO2013148125A1

  公开（公告）日：2013-10-03

  A method of removing a residue from a surface, including applying to the surface a composition including (a) a quaternary ammonium hydroxide having a general formula (I): as defined herein, and (b) a dipolar aprotic solvent substantially free of water; and removing at least a substantial portion of the residue from the surface.

  一种从表面去除残留物的方法，包括将包括（a）具有如下一般式（I）的季铵羟化物和（b）基本上不含水的双极无水溶剂的组合物应用于表面; 并从表面除去至少大部分残留物。

表征谱图