4-肼基-5-甲基噻吩基嘧啶 | 19786-56-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 中文名称: 4-肼基-5-甲基噻吩基嘧啶
• 中文别名: 4-肼基-5-甲基噻吩[2,3-d]嘧啶
• 英文名称: 5-Methyl-4-hydrazino-thieno<2,3-d>pyrimidin
• 英文别名: 4-hydrazino-5-methyl-thieno[2,3-d]pyrimidine；4-Hydrazinyl-5-methylthieno[2,3-d]pyrimidine；(5-methylthieno[2,3-d]pyrimidin-4-yl)hydrazine
• CAS: 19786-56-2
• 化学式: C₇H₈N₄S
• mdl: MFCD00205195
• 分子量: 180.233
• InChiKey: IWRWDRZDFILWMR-UHFFFAOYSA-N

物化性质

• 熔点：
  182 °C
• 沸点：
  381.7±44.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  92.1
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090

SDS

Name:	4-Hydrazino-5-methylthieno[2 3-d]pyrimidine 97% Material Safety Data Sheet
Synonym:
CAS:	19786-56-2

Section 1 - Chemical Product MSDS Name:4-Hydrazino-5-methylthieno[2 3-d]pyrimidine 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
19786-56-2	4-Hydrazino-5-methylthieno[2,3-d]pyrim	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause 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:

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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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 19786-56-2: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: slight pink
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 176 - 178 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H8N4S
Molecular Weight: 180

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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, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 19786-56-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Hydrazino-5-methylthieno[2,3-d]pyrimidine - 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.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 19786-56-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19786-56-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19786-56-2 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：

  4-肼基-5-甲基噻吩基嘧啶 在 sodium hydroxide 、 溴 、 氧气 作用下， 以 乙醇 为溶剂， 生成 6-Brom-5-methyl-thieno<2,3-d>pyrimidin
  参考文献：
  名称：

  Robba,M. et al., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1968, vol. 266, p. 1706 - 1708

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-5-甲基噻吩并[2,3-d]嘧啶 在 肼 作用下， 生成 4-肼基-5-甲基噻吩基嘧啶
  参考文献：
  名称：

  Robba,M. et al., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1968, vol. 266, p. 1706 - 1708

  摘要：

  DOI：

文献信息

• Thienopyrimidines. VII. Reactions of the 4-hydrazinothieno[2,3-<i>d</i>]pyrimidines
  作者：M. Robba、M. Cugnon de Sevricourt、J. M. Lecomte

  DOI：10.1002/jhet.5570120317

  日期：1975.6

  The cyclization reactions of the 4-hydrazinothieno[2,3-d]pyrimidines give s-triazolo[1,2-c]-thieno[3,2-e]pyrimidines and tetrazolo[1,5-c]thieno[3,2-e]pyrimidines.

  4-肼基噻吩并[2,3- d ]嘧啶的环化反应得到s-三唑并[1,2- c ]-噻吩并[3,2- e ]嘧啶和四唑并[1,5- c ]噻吩并[3， 2- e ]嘧啶。
• Discovery of novel thieno[2,3-d]pyrimidin-4-yl hydrazone-based inhibitors of Cyclin D1-CDK4: Synthesis, biological evaluation, and structure–activity relationships
  作者：Takao Horiuchi、Jun Chiba、Kouichi Uoto、Tsunehiko Soga

  DOI：10.1016/j.bmcl.2008.11.090

  日期：2009.1

  The synthesis and evaluation of new analogues of thieno[2,3-d]pyrimidin-4-yl hydrazones are described. 2-Pyrdinecarboxaldehyde [6-(tert-butyl)thieno[2,3-d]pyrimidine-4-yl]hydrazone derivatives have been identified as cyclin-dependent kinase 4 (CDK4) inhibitors. The potency, selectivity pro. le, and structure-activity relationship of this series of compounds are discussed. (C) 2008 Elsevier Ltd. All rights reserved.
• Synthesis of 1,4-Disubstituted Pyrazolo[3,4-d]pyrimidines from 4,6-Dichloropyrimidine-5-carboxaldehyde: Insights into Selectivity and Reactivity
  作者：Christie Morrill、Young-Choon Moon、Suresh Babu、Neil Almstead

  DOI：10.1055/s-0033-1338862

  日期：——

  Strategies for carrying out the reaction of 4,6-dichloropyrimidine-5-carboxaldehyde with both aromatic and aliphatic hydrazines to generate 1-substituted 4-chloropyrazolo[3,4-d]pyrimidines in a selective, high-yielding, and operationally simple manner are presented. For aromatic hydrazines, the reaction is performed at a high temperature in the absence of an external base. For aliphatic hydrazines, the reaction proceeds at room temperature in the presence of an external base. The observed selectivity and reactivity trends are rationalized through consideration of the proposed reaction mechanism. The 1-substituted 4-chloropyrazolo[3,4-d]pyrimidine products serve as versatile synthetic intermediates, through further functionalization of the 4-chloride moiety, enabling the rapid generation of a structurally diverse array of 1,4-disubstituted pyrazolo[3,4-d]pyrimidines.
• Brzozowski, ZdzislLaw, Acta poloniae pharmaceutica, 1998, vol. 55, # 6, p. 473 - 480
  作者：Brzozowski, ZdzislLaw

  DOI：——

  日期：——
• ROBBA M.; CUGNON DE SEVRICOURT M., BULL. SOC. CHIM. FRANCE <BSCF-AS>, 1976, NO 5-6, PART. 2, 761-764
  作者：ROBBA M.、 CUGNON DE SEVRICOURT M.

  DOI：——

  日期：——