2-甲基吡咯烷 | 765-38-8

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 2-甲基吡咯烷
• 中文别名: 2-甲基四氢吡咯
• 英文名称: 2-methyl-1-pyrrolidine
• 英文别名: 2-methylpyrrolidine；rac-2-methyl-pyrrolidine；2-methyl-tetrahydropyrrole
• CAS: 765-38-8
• 化学式: C₅H₁₁N
• mdl: MFCD00014491
• 分子量: 85.149
• InChiKey: RGHPCLZJAFCTIK-UHFFFAOYSA-N

物化性质

• 熔点：
  -96.37°C (estimate)
• 沸点：
  97-99 °C/744 mmHg (lit.)
• 密度：
  0.834 g/mL at 25 °C (lit.)
• 闪点：
  37 °F
• 稳定性/保质期：

  在常温常压下稳定，应避免与氧化物和酸直接接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险等级：
  3
• 危险品标志：
  F,C
• 安全说明：
  S16,S26,S36/37/39,S45
• 危险类别码：
  R34,R11
• WGK Germany：
  3
• 海关编码：
  2933990090
• 包装等级：
  II
• 危险类别：
  3
• 危险品运输编号：
  UN 2924
• 危险标志：
  GHS02,GHS05,GHS07
• 危险性描述：
  H225,H302,H314
• 危险性防范说明：
  P210,P280,P305 + P351 + P338,P310
• 储存条件：
  请将容器密封后，放入一个紧密盖好的容器中，并存放在阴凉、干燥的地方。

SDS

Name:	2-Methylpyrrolidine Material Safety Data Sheet
Synonym:	Secondary amine
CAS:	765-38-8

Section 1 - Chemical Product MSDS Name:2-Methylpyrrolidine Material Safety Data Sheet
Synonym:Secondary amine

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
765-38-8	Pyrrolidine, 2-methyl-	98	212-144-3

Hazard Symbols: F C
Risk Phrases: 11 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Highly flammable. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns. May be absorbed through the skin in harmful amounts.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic inhalation and ingestion may cause effects similar to those of acute inhalation and ingestion.

---

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:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
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:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Flammable liquid and vapor.
Extinguishing Media:
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Remove all sources of ignition.
Provide ventilation. Use only non-sparking tools and equipment.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Ground and bond containers when transferring material. Do not get in eyes, on skin, or on clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Use only with adequate ventilation. Keep away from heat, sparks and flame. Do not breathe vapor or mist.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Isolate from oxidizing materials and acids.

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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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 765-38-8: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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: Liquid
Color: clear colorless to light yellow
Odor: amine-like
pH: alkaline in aq soln
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 98-100 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 2 deg C ( 35.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density: 0.88
Molecular Formula: C5H11N
Molecular Weight: 85.15

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 765-38-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Pyrrolidine, 2-methyl- - 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
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.*
Hazard Class: 3
UN Number: 2733
Packing Group: II
IMO
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3
UN Number: 2733
Packing Group: II
RID/ADR
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3
UN Number: 2733
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F C
Risk Phrases:
R 11 Highly flammable.
R 34 Causes burns.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
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# 765-38-8: No information available.
Canada
CAS# 765-38-8 is listed on Canada's NDSL List.
CAS# 765-38-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 765-38-8 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-甲基吡咯烷 在 盐酸 、 palladium 10% on activated carbon 、 氢气 、 三乙酰氧基硼氢化钠 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 、 二甲基亚砜 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 1-(3,5-Dichlorophenyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
  参考文献：
  名称：

  发现作为治疗肥胖症的有效和选择性组胺H 3受体拮抗剂的芳基脲和芳基酰胺（第一部分）

  摘要：

  通过优化HTS铅作为选择性组胺H 3受体（H 3 R）拮抗剂，获得了一系列结构新颖的芳基脲。探索了SAR，获得的数据为进一步优化奠定了起点和基础。如化合物2l，5b，5d和5e所示，最有效的工具化合物在体外人-H 3 R FLIPR分析和恒河猴H 3 R结合分析中显示出亚纳摩尔范围的拮抗力。

  DOI：

  10.1016/j.bmcl.2013.03.080
• 作为产物：
  描述：

  5-甲基-2-吡咯烷酮 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以52%的产率得到2-甲基吡咯烷
  参考文献：
  名称：

  含有带有手性吡咯烷基环系统的芳基配体的有机酮（Ⅱ）配合物；合成并用作Kharasch加成反应的均相催化剂

  摘要：

  已经合成了新的手性有机镍（II）配合物3a-d，其包含2，6-双[（1-吡咯烷基）甲基]苯基类型的单阴离子叔齿配体。手性介绍

  DOI：

  10.1002/recl.19941130502
• 作为试剂：
  描述：

  丙烯酸丁酯 、 丙酮 在 2-甲基吡咯烷 作用下， 以90.81 %的产率得到5-氧代己酸丁酯
  参考文献：
  名称：

  一种5-氧代己酸酯的制备方法

  摘要：

  本发明公开了一种5‑氧代己酸酯的制备方法，属于有机合成技术领域，具体为将丙酮、丙烯酸酯和碱加入反应体系中，按照一定的流速经过吸附剂保温循环，循环一定时间后出料，料液蒸馏后得到产品；本发明工艺流程简单，产品收率高，易于生产放大。

  公开号：

  CN117384039A

文献信息

• [EN] FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1<br/>[FR] DÉRIVÉS DE 1,4-DIHYDRODIOXINE FUSIONNÉS À UTILISER EN TANT QU'INHIBITEURS DE FACTEUR DE TRANSCRIPTION 1 DU CHOC THERMIQUE
  申请人：CANCER REC TECH LTD

  公开号：WO2015049535A1

  公开（公告）日：2015-04-09

  The present invention relates to compounds of formula I wherein A1, A2 R4 and Q are as defined herein. The compounds of the present invention are inhibitors of heat shock factor 1 (HSF1). In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.

  本发明涉及式I的化合物，其中A1、A2、R4和Q如本文所定义。本发明的化合物是热休克因子1（HSF1）的抑制剂。具体来说，本发明涉及将这些化合物用作治疗和/或预防增殖性疾病，如癌症的治疗剂。本发明还涉及制备这些化合物的方法，以及包含它们的药物组合物。
• [EN] 2,3-DISUBSTITUTED 1 -ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS 2,3-DISUBSTITUÉS DE 1-ACYL-4-AMINO-1,2,3,4-TÉTRAHYDROQUINOLÉINE ET LEUR UTILISATION COMME INHIBITEURS DE BROMODOMAINES
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2014140076A1

  公开（公告）日：2014-09-18

  The present invention relates to novel compounds of formula (I), wherein R1 is C1-4alkyl; R2 is C1-4alkyl, C3-7cycloalkyl, -CH2CF3, -CH2OCH3 or heterocyclyl; R3 is C1-4alkyl, -CH2F, -CH2OH or -CH2O(O)CH3; R4 when present is as defined in claim 1; R5 when present is H, halo, hydroxy or C1-6alkoxy; A is -NH-, -O-, -S-, -SO-, -SO2-, -N(C1-4alkyl)- or -NC(O)(CH3)-; V is phenyl, heteroaromatic or pyridone any of which may be optionally substituted by 1, 2 or 3 substituents; W is CH or N; X is C or N; Y is C or N; and Z is CH or N; subject to the proviso that no more than 2 of W, X, Y and Z are N, pharmaceutical compositions containing such compounds and to their use as bromodomain inhibitors.

  本发明涉及式(I)的新化合物，其中R1为C1-4烷基；R2为C1-4烷基、C3-7环烷基、-CH2CF3、- 或杂环烷基；R3为C1-4烷基、-CH2F、- H或-CH2O(O)CH3；R4存在时如权利要求1所定义；R5存在时为H、卤素、羟基或C1-6烷氧基；A为-NH-、-O-、-S-、-SO-、-SO2-、-N(C1-4烷基)-或-NC(O)( )-；V为苯基、杂芳基或吡啶酮，其中任何一个可以选择性地被1、2或3个取代基取代；W为CH或N；X为C或N；Y为C或N；Z为CH或N；但W、X、Y和Z中不超过2个为N，含有这种化合物的药物组合物以及它们作为溴结构域抑制剂的用途。
• [EN] SUBSTITUTED PHENOXYPROPYLCYCLOAMINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS<br/>[FR] DÉRIVÉS DE PHÉNOXYPROPYLCYCLOAMINE SUBSTITUÉS EN TANT QUE LIGANDS DE RÉCEPTEUR D'HISTAMINE-3 (H3)
  申请人：CEPHALON INC

  公开号：WO2011002984A1

  公开（公告）日：2011-01-06

  The present invention provides compounds of formula I: their use as H3 antagonists/inverse agonists, processes for their preparation, and pharmaceutical compositions thereof.

  本发明提供了式I的化合物：它们作为H3受体拮抗剂/逆向激动剂的用途，它们的制备方法以及药物组合物。
• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS
  申请人：Carroll William A.

  公开号：US20090018114A1

  公开（公告）日：2009-01-15

  The present application relates to cannabinoid receptor ligands containing compounds of formula (I) wherein A, R 1 , R 2 , and R 3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及含有式(I)化合物的大麻素受体配体，其中A、R1、R2和R3如规范中所定义。本申请还涉及包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• [EN] COMPLEMENT MODULATORS AND RELATED METHODS<br/>[FR] MODULATEURS DU COMPLÉMENT ET PROCÉDÉS ASSOCIÉS
  申请人：RA PHARMACEUTICALS INC

  公开号：WO2020205501A1

  公开（公告）日：2020-10-08

  The present disclosure presents compounds and compositions that interact with complement components. Some compounds inhibit complement activity. Included are small molecule compounds and compositions that function as C5 inhibitor compounds. Methods for inhibiting complement activity and methods of treating complement-related indications with the C5 inhibitor compounds and compositions are provided.

  本公开涉及与补体成分相互作用的化合物和组合物。一些化合物抑制补体活性。包括作为C5抑制剂化合物的小分子化合物和组合物。提供了抑制补体活性的方法以及利用C5抑制剂化合物和组合物治疗与补体相关症状的方法。

表征谱图