3-呋喃羰脒氨基盐酸盐 | 54649-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 3-呋喃羰脒氨基盐酸盐
• 英文名称: 3-furylamidine hydrochloride
• 英文别名: furan-3-carboximidic acid amide; hydrochloride；Furan-3-carboximidamide Hydrochloride；furan-3-carboximidamide;hydrochloride
• CAS: 54649-21-7
• 化学式: C₅H₆N₂O*ClH
• mdl: MFCD03086209
• 分子量: 146.576
• InChiKey: RJLCJJIXGGSRPZ-UHFFFAOYSA-N

物化性质

• 熔点：
  74-78°C

计算性质

• 辛醇/水分配系数(LogP)：
  0.03
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2932190090
• 储存条件：
  室温

SDS

Name:	3-Furancarboximidamide hydrochloride 97% Material Safety Data Sheet
Synonym:
CAS:	54649-21-7

Section 1 - Chemical Product MSDS Name:3-Furancarboximidamide hydrochloride 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
54649-21-7	3-Furancarboximidamide hydrochloride	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. 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.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 54649-21-7: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: odorless - slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 74 - 78 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:
Specific Gravity/Density:
Molecular Formula: C5H7ClN2O
Molecular Weight: 146.58

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 54649-21-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Furancarboximidamide hydrochloride - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 54649-21-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 54649-21-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54649-21-7 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-呋喃羰脒氨基盐酸盐 在 sodium hypochlorite 、 sodium chloride 作用下， 以 二甲基亚砜 为溶剂， 以45%的产率得到3-Chloro-3-(furan-3-yl)diazirine
  参考文献：
  名称：

  Photoselection of Carbene Stereoisomers with Surprisingly Different Electronic Spectra:  3-Furylchlorocarbene

  摘要：

  [GRAPHICS]Syn and anti conformational isomers of 3-furylchlorocarbene were characterized in low-temperature matrixes by IR, UV/vis, chemical trapping, and calculational modeling. Displaying significantly different electronic spectra, the two isomeric carbenes could be photochemically interconverted, At shorter wavelengths, the carbene rearranges to a conjugated methylenecyclopropene.

  DOI：

  10.1021/ol990890r
• 作为产物：
  描述：

  乙基3-氟 在 ammonium chloride 、 三甲基铝 作用下， 以 正己烷 、 甲苯 为溶剂， 以57%的产率得到3-呋喃羰脒氨基盐酸盐
  参考文献：
  名称：

  A novel approach to amidines from esters

  摘要：

  A mild and efficient method for the direct conversion of aromatic, benzylic and aliphatic esters to amidines in the form of their hydrochlorides-has been developed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)02162-1

文献信息

• [EN] NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX DÉRIVÉS DE THIÉNOPYRIMIDINE, PROCÉDÉ POUR LEUR PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SERVIER LAB

  公开号：WO2015097123A1

  公开（公告）日：2015-07-02

  Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, R12, X, A and n are as defined in the description.

  式（I）的化合物：其中R1、R2、R3、R4、R5、R6、R7、R12、X、A和n的定义如描述中所述。
• Pyrimidine derivatives
  申请人：Naganuma Kenji

  公开号：US20060293343A1

  公开（公告）日：2006-12-28

  The object of the invention is to provide a novel compound having an inhibitory action on PDE4 activity with fewer side effects. The invention provides a compound represented by the following general formula (1), possible stereoisomers thereof or racemates thereof, pharmacologically acceptable salts thereof, hydrates thereof, solvated compounds thereof, or prodrugs thereof,

  本发明的目的是提供一种对PDE4活性具有抑制作用且副作用较少的新型化合物。 该发明提供了一种由以下一般式（1）表示的化合物，其可能的立体异构体或外消旋体，其药理学上可接受的盐，水合物，溶剂化合物，或前药。
• Synthesis of novel fused chromone–pyrimidine hybrids and 2,4,5-trisubstituted pyrimidine derivatives via ANRORC rearrangement
  作者：M. Sambaiah、K. Raghavulu、K. Shiva Kumar、Satyanarayana Yennam、Manoranjan Behera

  DOI：10.1039/c7nj01839h

  日期：——

  A facile and versatile procedure for the synthesis of functionalized novel 2, 5-diphenyl-5H-chromeno [4, 3-d] pyrimidin-5-ol and (2, 4-diphenylpyrimidin-5-yl) (2-hydroxyphenyl) methanone has been described. The key step in the synthesis involves the ANRORC reaction of 3-benzoyl chromones with benzamidines.

  一种简便且通用的方法，用于合成功能化的新型2，5-二苯基-5H-铬[4，3-d]嘧啶-5-醇和（2，4-二苯基嘧啶-5-基）（2-羟苯基）甲酮已经描述过了。合成中的关键步骤涉及3-苯甲酰色酮与苯甲the的ANRORC反应。
• 2-Heteroaryl-imidazotriazinones and their use in the treatment of inflammatory or immune diseases
  申请人：Alonso-Alija Cristina

  公开号：US20060293326A1

  公开（公告）日：2006-12-28

  The invention relates to 2-Heteroaryl-imidazotriazinones, processes for their preparation and their use in medicaments, esp. for the treatment and/or prophylaxis of inflammatory processes and/or immune diseases. The present invention relates to compounds of the general formula (I) in which R 1 denotes 5- to 10-membered heteroaryl, which is optionally substituted by identical or different residues selected from the group consisting of halogen, (C 1 -C 4 )-alkyl, trifluoromthyl, cyano, nitro und trifluoromethoxy, denotes 3- to 10-membered carbocyclyl or carbon-bonded, 4- to 10-membered heterocyclyl, whereby carbocyclyl and heterocyclyl are optionally substituted by identical or different residues selected from the group consisting of (C 1 -C 6 )-aldyl, (C 1 -C 6 )-aldoxy, hydroxy, halogen, trifluoromethyl and oxo, or denotes (C 2 -C 10 )-alkyl, which is optionally substituted by identical or different residues selected from the group the group consisting of (C 1 -C 6 )-alkoxy, hydroxy, halogen, 3- to 10-membered carbocyclyl and oxo.

  本发明涉及2-杂环芳基咪唑三嗪酮的制备方法及其在药物中的应用，特别是用于治疗和/或预防炎症过程和/或免疫性疾病。本发明涉及通式（I）的化合物，其中R1表示5-至10-成员杂环芳基，该杂环芳基可以被选自卤素，（C1-C4）-烷基，三氟甲基，氰基，硝基和三氟甲氧基的相同或不同残基取代，或表示3-至10-成员碳环烷基或碳键结合的4-至10-成员杂环烷基，其中碳环烷基和杂环烷基可以被选自（C1-C6）-醛基，（C1-C6）-醛氧基，羟基，卤素，三氟甲基和氧代物的相同或不同残基取代，或表示（C2-C10）-烷基，该烷基可以被选自（C1-C6）-氧烷基，羟基，卤素，3-至10-成员碳环烷基和氧代物的相同或不同残基取代。
• Amide Compound
  申请人：Matsumoto Takahiro

  公开号：US20080312226A1

  公开（公告）日：2008-12-18

  There is provided a FAAH inhibitor and a prophylactic or therapeutic agent for cerebrovascular disorders or sleep disorders comprising it. The prophylactic or therapeutic agent comprises a compound of the formula (I 0 ): R 1 —C—R 2 —R 3 —R 4 (I 0 ) wherein Z is oxygen or sulfur; R 1 is aryl which may be substituted, or a heterocyclic group which may be substituted; R 1a is a hydrogen atom, a hydrocarbon group which may be substituted, hydroxyl, etc.; R 2 is piperidin-1,4-diyl which may be substituted, or piperazin-1,4-diyl which may be substituted; R 3 is a group formed by eliminating two hydrogen atoms from a 5-membered aromatic heterocyclic group having 1 to 3 heteroatoms selected from nitrogen, oxygen and sulfur, which may be further substituted, —CO—, etc.; and R 4 is a hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted; or a salt thereof.

  提供了一种FAAH抑制剂和预防或治疗脑血管疾病或睡眠障碍的药物，其中预防或治疗剂包括化合物(I0)的一种：R1-C-R2-R3-R4(I0)，其中Z为氧或硫；R1为芳基，可以被取代，或者是可以被取代的杂环基；R1a为氢原子，可以被取代的碳氢基，羟基等；R2为可以被取代的哌啶-1,4-二基，或者可以被取代的哌嗪-1,4-二基；R3为从具有1到3个氮、氧和硫杂原子的5元芳香杂环基中消除两个氢原子形成的基团，可以进一步被取代，-CO-等；R4为可以被取代的碳氢基或者可以被取代的杂环基；或其盐。