2-氯吡啶氮氧化物盐酸盐 | 20295-64-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-氯吡啶氮氧化物盐酸盐
• 中文别名: 2-氯吡啶-N-氧化物盐酸盐；2-氯吡啶N-氧化物盐酸盐
• 英文名称: 2-chloropyridine N-oxide hydrochloride
• 英文别名: 2-Chloro-1-oxidopyridin-1-ium;hydron;chloride；2-chloro-1-oxidopyridin-1-ium;hydron;chloride
• CAS: 20295-64-1
• 化学式: C₅H₄ClNO*ClH
• mdl: MFCD00012805
• 分子量: 166.007
• InChiKey: GRZNODNSNCXOHE-UHFFFAOYSA-N

物化性质

• 熔点：
  140-142 °C(lit.)
• 沸点：
  140-142°C
• 稳定性/保质期：
  避免接触强氧化制剂。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.94
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.5
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 危险品运输编号：
  UN 2811 6.1/PG 3
• 海关编码：
  2933399090
• 储存条件：
  将其存放在阴凉、干燥的紧密容器中。

SDS

Name:	2-Chloropyridine-n-oxide hydrochloride 97% Material Safety Data Sheet
Synonym:
CAS:	20295-64-1

Section 1 - Chemical Product MSDS Name:2-Chloropyridine-n-oxide hydrochloride 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
20295-64-1	2-Chloropyridine-N-oxide hydrochloride	97%	243-712-9

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
No information found.
Inhalation:
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.
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.
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.
Exposure Limits CAS# 20295-64-1: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: slightly beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 140.00 - 142.00 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: C5H4ClNO.HCl
Molecular Weight: 166.01

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 20295-64-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloropyridine-N-oxide 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
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: 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# 20295-64-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 20295-64-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 20295-64-1 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：

  2-氯吡啶氮氧化物盐酸盐 在 四氢化物钛 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以96%的产率得到2-氯吡啶
  参考文献：
  名称：

  Titanium(0) Reagents; 2. A Selective and Efficient Deoxygenation of Halogen Containing HeteroaromaticN-Oxides

  摘要：

  在成功地通过钛(0)还原非官能化的杂芳香族N-氧化物后，我们将此方法应用于卤化芳香族N-氧化物，得到了去氧的卤代衍生物，产率为90-95%。

  DOI：

  10.1055/s-1987-28152
• 作为产物：
  描述：

  吡啶-2-胺 1-氧化物单盐酸盐 、 盐酸 、 sodium nitrite 在 吡啶-2-胺 1-氧化物单盐酸盐 作用下， 以 水 为溶剂， 反应 1.87h， 以This treatment yielded an aqueous solution of 2-chloropyridine-1-oxide hydrochloride的产率得到2-氯吡啶氮氧化物盐酸盐
  参考文献：
  名称：

  Process for the manufacture of 2-mercapto pyridine-1-oxides

  摘要：

  一种制备2-巯基吡啶-1-氧化物及其锌盐的工艺，包括以下步骤：在惰性溶剂中用过氧乙酸氧化2-乙酰氨基吡啶，得到2-乙酰胺基吡啶-1-氧化物；用矿酸断裂乙酰基，得到2-氨基吡啶-1-氧化物；重氮化2-氨基吡啶-1-氧化物，用盐酸处理重氮盐，得到2-氯吡啶-1-氧化物；用硫醇供体处理后得到2-巯基吡啶-1-氧化物；可选地，用锌盐处理后得到2:1的2-巯基吡啶-1-氧化物锌盐。所得的锌盐在防止头皮屑的制备中有用。

  公开号：

  US04080329A1

文献信息

• Triazolone derivatives
  申请人：Clark Richard

  公开号：US20080015199A1

  公开（公告）日：2008-01-17

  A Compound represented by the following general formula (1), salts thereof or hydrates of the foregoing is a novel compound useful for treatment and/or prevention of diseases associated with thrombus formation, and which is safer with suitable physicochemical stability. [wherein R 1a , R 1b , R 1c and R 1d each independently represent hydrogen, etc.; R 2 represents optionally substituted phenyl, etc.; R 3 represents optionally substituted C6-10 aryl, etc.; and Z 1 and Z 2 each independently represent hydrogen]

  以下一般式（1）表示的化合物，其盐或上述化合物的水合物是一种新型化合物，可用于治疗和/或预防与血栓形成相关的疾病，并且具有适当的物理化学稳定性，更安全。 [其中R1a，R1b，R1c和R1d分别独立表示氢等；R2表示可选择取代的苯基等；R3表示可选择取代的C6-10芳基等；Z1和Z2分别独立表示氢]
• Antiinflammatory imidazole derivatives
  申请人：Schering Aktiengesellschaft

  公开号：US04402960A1

  公开（公告）日：1983-09-06

  Imidazole derivatives of the formula ##STR1## wherein AR.sub.1 and AR.sub.2 each independently is phenyl, optionally substituted by halogen atoms, alkyl residues, alkoxy residues; or dialkylamino residues; pyridyl, furyl; or thienyl; R.sub.1 is hydrogen; alkyl of 1-6 carbon atoms optionally substituted by hydroxy groups, alkoxy groups, or acyloxy groups; benzyl; tetrahydropyran-2-yl; or tetrahydrofuran-2-yl; n is 0, 1 or 2; and Z is phenyl optionally substituted by halogen atoms, alkyl groups, alkoxy groups, nitro groups, amino, acylamino groups or trifluoromethyl groups; pyridyl; N-oxypyridyl; pyrimidinyl; thiazolyl; or thienyl, and the physiologically acceptable salts thereof with acids, have valuable pharmacological activity, e.g., antiinflammatory activity.

  咪唑衍生物的化学式为##STR1##其中AR.sub.1和AR.sub.2各自独立地是苯基，可以选择地被卤原子，烷基残基，烷氧基残基; 或二烷基氨基残基; 吡啶基，呋喃基; 或噻吩基; R.sub.1是氢; 1-6个碳原子的烷基，可以选择地被羟基，烷氧基或酰氧基取代; 苄基; 四氢吡喃-2-基; 或四氢呋喃-2-基; n为0, 1或2; Z是苯基，可以选择地被卤原子，烷基，烷氧基，硝基，氨基，酰胺基或三氟甲基取代; 吡啶基; N-氧基吡啶基; 嘧啶基; 噻唑基; 或噻吩基，以及其与酸形成的生理上可接受的盐具有有价值的药理活性，例如抗炎活性。
• New benzoxazine derivatives useful as integrin receptor antagonists
  申请人：——

  公开号：US20030069236A1

  公开（公告）日：2003-04-10

  The present invention relates to a class of compounds represented by the formula (I) 1 or a pharmaceutical acceptable salt, prodrug or ester thereof, pharmaceutical compositions comprising compounds of the formula (I), and methods of selectively inhibiting or antagonizing &agr; v &bgr; 3 integrin.

  本发明涉及一类由式(I)表示的化合物，或其药用可接受的盐、前药或酯，包括式(I)化合物的药物组合物，以及选择性抑制或拮抗αvβ3整合素的方法。
• Vitronectin receptor antagonists
  申请人：SmithKline Beecham Corporation

  公开号：US06159964A1

  公开（公告）日：2000-12-12

  Compounds of formula (I) are disclosed, wherein: A is a fibrinogen antagonist template; W is a linking moiety of the form --(CHR.sup.g).sub.a --U--(CHR.sup.g).sub.b --V--; Q.sup.1, Q.sup.2, Q.sup.3 and Q.sup.4 are independently N or C--R.sup.y, provided that no more than one Q.sup.1, Q.sup.2, Q.sup.3 and Q.sup.4 is N; R' is H or C.sub.1-6 alkyl, C.sub.3-7 cycloalkyl-C.sub.0-6 -alkyl or Ar--C.sub.0-6 alkyl; R.sup.g is H or C.sub.1-6 alkyl, Het-C.sub.0-6 alkyl, C.sub.3-7 cycloalkyl-C.sub.0-6 alkyl or Ar--C.sub.0-6 alkyl; R.sup.k is R.sup.g, --C(O)R.sup.g or --C(O)OR.sup.g R.sup.i is H, C.sub.1-6 alkyl, Het-C.sub.0-6 alkyl, C.sub.3-7 cycloalkyl-C.sub.0-6 alkyl, Ar--C.sub.0-6 alkyl, Het-C.sub.0-6 alkyl--U'--C.sub.1-6 alkyl, C.sub.3-7 cycloalkyl-C.sub.0-6 alkyl--U'--C.sub.1-6 alkyl or Ar--C.sub.0-6 alkyl--U'--C.sub.1-6 alkyl; R.sup.y is H, halo, --OR.sup.g, --SR.sup.g, --CN, --NR.sup.g R.sup.k, --NO.sub.2, --CF.sub.3, CF.sub.3 S(O).sub.r, --CO.sub.2 R.sup.g, --COR.sup.g or --CONR.sup.g.sub.2, or C.sub.1-6 alkyl optionally substituted by halo, --OR.sup.g, --SR.sup.g, --CN, --NR.sup.8 R", --NO.sub.2, --CF.sub.3, R'S(O).sub.3 --, --CO.sub.2 R.sup.g, --COR.sup.g or --CONR.sup.g.sub.2 ; U and V are absent or CO, CR.sup.g.sub.2, C(.dbd.CR.sup.g.sub.2), S(O).sub.c, O, NR.sup.g, CR.sup.g OR.sup.g, CR.sup.g (OR.sup.k)CR.sup.g.sub.2, CR.sup.g.sub.7 CR.sup.g (OR.sup.k), C(O)CR.sup.g.sub.2, CR.sup.g.sub.2 C(O), CONR.sup.i, NR.sup.i CO, OC(O), C(O)O, OC(S), C(S)NR.sup.g, NR.sup.8 C(S), S(O.sub..sub.2 NR.sup.g, NR.sup.g S(O).sub.2 N.dbd.N, NR.sup.g NR.sup.g, NR.sup.g CR.sup.g.sub.2, NR.sup.g CR.sup.g.sub.2, CR.sup.g.sub.2 O, OCR.sup.g.sub.2, CR.sup.g .dbd.CR.sup.g, C.ident.C, Ar or Het; a is 0, 1 or 2; c is 0, 1 or 2; r is 0, 1 or 2; and u is 0 or 1; or pharmaceutically acceptable salts thereof, which are vitronectin receptor antagonists useful in the treatment of osteoporosis. ##STR1##

  公式（I）的化合物被披露，其中：A是一种纤维蛋白原拮抗剂模板；W是形式为--(CHR.sup.g).sub.a--U--(CHR.sup.g).sub.b--V--的连接基团；Q.sup.1、Q.sup.2、Q.sup.3和Q.sup.4独立地是N或C--R.sup.y，前提是Q.sup.1、Q.sup.2、Q.sup.3和Q.sup.4中不超过一个是N；R'是H或C.sub.1-6烷基，C.sub.3-7环烷基-C.sub.0-6-烷基或Ar--C.sub.0-6烷基；R.sup.g是H或C.sub.1-6烷基，Het-C.sub.0-6烷基，C.sub.3-7环烷基-C.sub.0-6烷基或Ar--C.sub.0-6烷基；R.sup.k是R.sup.g，--C(O)R.sup.g或--C(O)OR.sup.g；R.sup.i是H，C.sub.1-6烷基，Het-C.sub.0-6烷基，C.sub.3-7环烷基-C.sub.0-6烷基，Ar--C.sub.0-6烷基，Het-C.sub.0-6烷基--U'--C.sub.1-6烷基，C.sub.3-7环烷基-C.sub.0-6烷基--U'--C.sub.1-6烷基或Ar--C.sub.0-6烷基--U'--C.sub.1-6烷基；R.sup.y是H，卤素，--OR.sup.g，--SR.sup.g，--CN，--NR.sup.g R.sup.k，--NO.sub.2，--CF.sub.3，CF.sub.3 S(O).sub.r，--CO.sub.2 R.sup.g，--COR.sup.g或--CONR.sup.g.sub.2，或者C.sub.1-6烷基，可选择地被卤素，--OR.sup.g，--SR.sup.g，--CN，--NR.sup.8 R"，--NO.sub.2，--CF.sub.3，R'S(O).sub.3--，--CO.sub.2 R.sup.g，--COR.sup.g或--CONR.sup.g.sub.2取代；U和V不存在或为CO，CR.sup.g.sub.2，C(.dbd.CR.sup.g.sub.2)，S(O).sub.c，O，NR.sup.g，CR.sup.g OR.sup.g，CR.sup.g(OR.sup.k)CR.sup.g.sub.2，CR.sup.g.sub.7 CR.sup.g(OR.sup.k)，C(O)CR.sup.g.sub.2，CR.sup.g.sub.2 C(O)，CONR.sup.i，NR.sup.i CO，OC(O)，C(O)O，OC(S)，C(S)NR.sup.g，NR.sup.8 C(S)，S(O.sub..sub.2 NR.sup.g，NR.sup.g S(O).sub.2 N.dbd.N，NR.sup.g NR.sup.g，NR.sup.g CR.sup.g.sub.2，NR.sup.g CR.sup.g.sub.2，CR.sup.g.sub.2 O，OCR.sup.g.sub.2，CR.sup.g.dbd.CR.sup.g，C.ident.C，Ar或Het；a为0、1或2；c为0、1或2；r为0、1或2；u为0或1；或其药学上可接受的盐，用于治疗骨质疏松症的维龙蛋白受体拮抗剂。
• Substituted indoles and their use as integrin antagonists
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20020169200A1

  公开（公告）日：2002-11-14

  The present invention relates to novel substituted indole compounds that are antagonists of alpha V (&agr;v) integrins, for example &agr; v &bgr; 3 and &agr; v &bgr; 5 integrins, their pharmaceutically acceptable salts, and pharmaceutical compositions thereof. The compounds may be used in the treatment of pathological conditions mediated by &agr; v &bgr; 3 and &agr; v &bgr; 5 integrins, including such conditions as tumor growth, metastasis, restenosis, osteoporosis, inflammation, macular degeneration, diabetic retinopathy, and rheumatoid arthritis. The compounds have the general formula: 1 where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , D, X, W, a, m, n, i, j, k and v are defined herein.

  本发明涉及新型取代吲哚化合物，其为αV（αv）整合素的拮抗剂，例如αvβ3和αvβ5整合素，其药学上可接受的盐以及其药物组合物。这些化合物可用于治疗由αvβ3和αvβ5整合素介导的病理性状况，包括肿瘤生长、转移、再狭窄、骨质疏松、炎症、黄斑变性、糖尿病视网膜病变和类风湿性关节炎等病症。这些化合物具有以下一般式： 1 其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、D、X、W、a、m、n、i、j、k和v在此处定义。