3-[(四氢呋喃-2-甲基)氨基]丙腈 | 90322-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢呋喃
• 中文名称: 3-[(四氢呋喃-2-甲基)氨基]丙腈
• 中文别名: 3-[(四氢呋喃-2-甲基胺基丙腈
• 英文名称: 3-[(tetrahydro-furan-2-ylmethyl)-amino]-propionitrile
• 英文别名: 3-[(tetrahydrofuran-2-ylmethyl)amino]propanenitrile；β-(Tetrahydrofurfurylamino)-propionitril；3-(oxacyclopent-2-ylmethylamino)propanenitrile；3-(oxolan-2-ylmethylamino)propanenitrile
• CAS: 90322-18-2
• 化学式: C₈H₁₄N₂O
• mdl: MFCD00121811
• 分子量: 154.212
• InChiKey: ZSKZHSOMHSHFDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  45
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R20/21/22,R34
• 海关编码：
  2932190090
• 安全说明：
  S26

SDS

Name:	3-[(Tetrahydrofuran-2-ylmethyl)amino]propanenitrile 97% Material Safety Data Sheet
Synonym:
CAS:	90322-18-2

Section 1 - Chemical Product MSDS Name:3-[(Tetrahydrofuran-2-ylmethyl)amino]propanenitrile 97% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
90322-18-2	3-[(Tetrahydrofuran-2-ylmethyl)amino]p	97%	unlisted

Hazard Symbols: XN C
Risk Phrases: 20/21/22 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
Not available.

---

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 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:
Do not induce vomiting. Get medical aid immediately.
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.
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

---

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.

---

Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

---

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# 90322-18-2: Personal Protective Equipment Eyes: Not available.
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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C8H14N2O
Molecular Weight: 154

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acid chlorides, reducing agents.
Hazardous Decomposition Products:
Hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 90322-18-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-[(Tetrahydrofuran-2-ylmethyl)amino]propanenitrile - 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
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.*
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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# 90322-18-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 90322-18-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 90322-18-2 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-[(四氢呋喃-2-甲基)氨基]丙腈 、 3,4-二甲氧基苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2-Cyano-ethyl)-3,4-dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
  参考文献：
  名称：

  Aryl sulfonamides as selective PDE4 inhibitors

  摘要：

  A series of novel selective phosphodiesterase 4 (PDE4) inhibitors has been developed which displays activity both in vitro and in vivo. These compounds possess good selectivity for the catalytic site of PDE4 over the high affinity Rolipram binding site. In vivo studies demonstrate a reduced propensity to display the emetic side effects which are commonly observed with PDE4 inhibitors. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00491-0
• 作为产物：
  描述：

  2-四氢糠胺 、 丙烯腈 以 甲苯 为溶剂， 生成 3-[(四氢呋喃-2-甲基)氨基]丙腈
  参考文献：
  名称：

  Aryl sulfonamides as selective PDE4 inhibitors

  摘要：

  A series of novel selective phosphodiesterase 4 (PDE4) inhibitors has been developed which displays activity both in vitro and in vivo. These compounds possess good selectivity for the catalytic site of PDE4 over the high affinity Rolipram binding site. In vivo studies demonstrate a reduced propensity to display the emetic side effects which are commonly observed with PDE4 inhibitors. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00491-0

文献信息

• Azacyclosteroid histamine-3 receptor ligands
  申请人：Zhao Chen

  公开号：US20050227953A1

  公开（公告）日：2005-10-13

  Azacyclosteroid histamine-3 receptor ligands, pharmaceutical compositions comprising such compounds, and methods for using such compounds and compositions are described herein.

  阿扎环状类固醇组胺-3受体配体、包含该化合物的药物组合物以及使用这些化合物和组合物的方法在本文件中进行了描述。
• [EN] AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS<br/>[FR] LIGANDS DE RECEPTEUR H3 DE L'HISTAMINE AZACYCLOSTEROIDE
  申请人：ABBOTT LAB

  公开号：WO2005100377A1

  公开（公告）日：2005-10-27

  Azacyclosteroid histamine-3 receptor ligands, pharmaceutical compositions comprising such compounds, and methods for using such compounds and compositions are described herein.

  阿扎环状类固醇组胺-3受体配体、包含该化合物的药物组合物以及使用这些化合物和组合物的方法在本文件中进行了描述。
• [EN] PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] DÉRIVÉS DE PIRROLIDINE SUBSTITUÉS PAR LA PYRIMIDINE, LEURS COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014170197A1

  公开（公告）日：2014-10-23

  The invention relates to new pyrrolidine derivatives of the formula (I), wherein R1 to R3, Ar, L T and n are as defined in the description and claims, to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及到新的吡咯烷衍生物，其化学式为（I），其中R1到R3、Ar、LT和n如描述和索赔中所定义，其用作药物，用于其治疗用途的方法以及含有它们的药物组合物。
• Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods
  申请人：Gruenenthal GmbH

  公开号：US20040192916A1

  公开（公告）日：2004-09-30

  Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene compounds and processes for their production, the use thereof for producing pharmaceutical compositions, pharmaceutical compositions containing these compounds and methods of treatment using these compounds.

  替代了1-氧杂-2,8-二氮杂螺[4,5]癸-2-烯化合物及其制备方法，其用于制备药物组合物，包含这些化合物的药物组合物以及使用这些化合物的治疗方法。
• New Compounds II
  申请人：Burrows Jeremy

  公开号：US20080188503A1

  公开（公告）日：2008-08-07

  The present invention relates to a compound of formula (I): as a free base or a pharmaceutically acceptable salt thereof. The present invention also relates to pharmaceutical formulations containing said compound and to the use of said compound in therapy. The present invention further relates to a process for the preparation of the compound of formula (I).

  本发明涉及化合物(I)的自由碱或其药学上可接受的盐，其化学式为：。本发明还涉及含有该化合物的制药配方以及该化合物在治疗中的应用。本发明还涉及化合物(I)的制备方法。