5-溴-2,4-二甲基-1,3-噻唑 | 28599-52-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-溴-2,4-二甲基-1,3-噻唑
• 中文别名: 5-溴-2,4-二甲基噻唑
• 英文名称: 5-bromo-2,4-dimethyl-1,3-thiazole
• 英文别名: 5-bromo-2,4-dimethylthiazole
• CAS: 28599-52-2
• 化学式: C₅H₆BrNS
• 分子量: 192.079
• InChiKey: BSFCVAYFJQLZEU-UHFFFAOYSA-N

物化性质

• 熔点：
  153-155 °C
• 沸点：
  188-190 °C(Press: 745 Torr)
• 密度：
  1.589±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2934100090
• 安全说明：
  S26,S37/39
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Name:	5-Bromo-2,4-dimethyl-1,3-thiazole, 90+% Material Safety Data Sheet
Synonym:
CAS:	28599-52-2

Section 1 - Chemical Product MSDS Name: 5-Bromo-2,4-dimethyl-1,3-thiazole, 90+% Material Safety Data Sheet
Synonym:

---

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
28599-52-2	5-Bromo-2,4-dimethyl-1,3-thiazole	90+%	unlisted

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

---

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

---

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.

---

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.

---

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:
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.

---

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# 28599-52-2: 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: Viscous liquid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 114 - 120 deg C @15mmHg
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: C5H6BrNS
Molecular Weight: 192.08

---

SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

---

SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 28599-52-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Bromo-2,4-dimethyl-1,3-thiazole - 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 No information available. IMO No information available. RID/ADR No information available.

---

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# 28599-52-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 28599-52-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 28599-52-2 is not listed on the TSCA inventory. It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 5/11/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-溴-2,4-二甲基-1,3-噻唑 在 乙醇 、 苯基锂 作用下， 生成 2,4-二甲基-1,3-噻唑-5-羧酸
  参考文献：
  名称：

  Michailow; Bronowizkaja, Zhurnal Obshchei Khimii, 1956, vol. 26, p. 66; engl. Ausg. S. 65

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二甲基噻唑 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成 5-溴-2,4-二甲基-1,3-噻唑
  参考文献：
  名称：

  2,4-二甲基噻唑与三角形三噻吩连接的星形光致变色染料的光致荧光变色

  摘要：

  合成了一种附有2,4-二甲基噻唑的光致变色三联噻吩染料，在紫外/可见光交替照射下显示出规则的光致变色性能。结果发现，2,4-二甲基噻唑的附着对三角三噻吩的光致变色和荧光都有显着影响。在光环化过程中，THF 中染料的颜色和荧光都可以在染料的开环和闭环形式之间切换。此外，该染料开环和闭环形式的绝对量子产率（AQY）（0.32/0.58）远大于文献报道。随着254 nm光的照射，THF中的荧光颜色从深蓝色(428 nm)变为天蓝色(486 nm)。基于紫外/可见光照射循环可以建立荧光显色循环，为生物应用新型荧光二芳基乙烯衍生物的设计提供策略。

  DOI：

  10.1007/s10895-023-03196-1

文献信息

• [EN] COMPOSITIONS FOR THE TREATMENT OF PULMONARY FIBROSIS<br/>[FR] COMPOSITIONS POUR LE TRAITEMENT D'UNE FIBROSE PULMONAIRE
  申请人：VECTUS BIOSYSTEMS LTD

  公开号：WO2018018091A1

  公开（公告）日：2018-02-01

  The present invention relates to compounds and their use in the prophylactic and/or therapeutic treatment of pulmonary fibrosis and/or related conditions.

  本发明涉及化合物及其在预防及/或治疗肺纤维化及/或相关病症的应用。
• [EN] COMPOSITIONS FOR THE TREATMENT OF KIDNEY AND/OR LIVER DISEASE<br/>[FR] COMPOSITIONS POUR LE TRAITEMENT D'UNE MALADIE HÉPATIQUE ET/OU RÉNALE
  申请人：VECTUS BIOSYSTEMS LTD

  公开号：WO2016145478A1

  公开（公告）日：2016-09-22

  The present invention relates to novel compounds and their use in the prophylactic and/or therapeutic treatment of kidney and/or liver disease.

  本发明涉及新化合物及其在预防性和/或治疗性治疗肾脏和/或肝脏疾病中的用途。
• [EN] N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE APPARENTÉS À LA N-ACYLPIPÉRIDINE ÉTHER TROPOMYOSINE
  申请人：PFIZER LTD

  公开号：WO2015092610A1

  公开（公告）日：2015-06-25

  The present invention relates to compounds of Formula (I) described herein and their pharmaceutically acceptable salts, and their use in medicine, in particular as Trk antagonists.

  本发明涉及本文所述的式(I)化合物及其药学上可接受的盐，以及它们在医学上的用途，特别是作为Trk拮抗剂。
• [EN] AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS<br/>[FR] DERIVES AZABICYCLO (3.1.0) HEXANE UTILES COMME MODULATEURS DES RECEPTEURS D3 DE LA DOPAMINE
  申请人：GLAXO GROUP LTD

  公开号：WO2005080382A1

  公开（公告）日：2005-09-01

  The present invention relates to novel compounds of formula (I) or a pharmaceutically acceptable salt thereof, wherein G is selected from a group consisting of: phenyl, pyridyl, benzothiazolyl, indazolyl; p is an integer ranging from 0 to 5; R1 is independently selected from a group consisting of: halogen, hydroxy, cyano, C1-4alkyl, haloC1-4alkyl, C1-4alkoxy, haloC1-4alkoxy, C1-4alkanoyl; or corresponds to a group R5; R2 is hydrogen or C1-4alkyl; R3 is C1-4alkyl; R4 is hydrogen, or a phenyl group, a heterocyclyl group, a 5- or 6-membered heteroaromatic group, or a 8- to 11-membered bicyclic group, any of which groups is optionally substituted by 1, 2, 3 or 4 substituents selected from the group consisting of: halogen, cyano, C1-4alkyl, haloC1-4alkyl, C1-4alkoxy, C1-4alkanoyl; R5 is a moiety selected from the group consisting of: isoxazolyl, -CH2-N-pyrrolyl, 1,1-dioxido-2-isothiazolidinyl, thienyl, thiazolyl, pyridyl, 2-pyrrolidinonyl, and such a group is optionally substituted by one or two substituents selected from: halogen, cyano, C1-4alkyl, haloC1-4alkyl, C1-4alkoxy, C1-4alkanoyl; and when R1 is chlorine and p is 1, such R1 is not present in the ortho position with respect to the linking bond to the rest of the molecule; and when R1 corresponds to R5, p is 1; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D3 receptors, e.g. to treat drug dependency or as antipsychotic agents.

  本发明涉及公式(I)的新化合物或其药学上可接受的盐，其中G选自以下组成的一组：苯基、吡啶基、苯并噻唑基、吲哚基；p是一个从0到5的整数；R1独立地选自以下组成的一组：卤素、羟基、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、卤代C1-4烷氧基、C1-4烷酰基；或对应于一个R5基团；R2是氢或C1-4烷基；R3是C1-4烷基；R4是氢，或苯基、杂环基、5-或6-成员杂芳基，或8-到11-成员双环基，其中任何一个基团可以选择地被来自以下组成的1、2、3或4个取代基所取代：卤素、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、C1-4烷酰基；R5是选自以下组成的基团：异噁唑基、-CH2-N-吡咯基、1,1-二氧化-2-异噻唑啉基、噻吩基、噻唑基、吡啶基、2-吡咯烷基，这样的基团可以选择地被一个或两个取代基所取代，所述取代基选自：卤素、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、C1-4烷酰基；当R1是氯且p为1时，该R1不位于与分子其余部分的连接键的邻位；当R1对应于R5时，p为1；它们的制备方法，用于这些方法的中间体，含有它们的药物组合物以及它们作为多巴胺D3受体调节剂在治疗中的用途，例如用于治疗药物依赖或作为抗精神病药物。
• Catalytic Asymmetric Synthesis of α-Arylpyrrolidines and Benzo-fused Nitrogen Heterocycles
  作者：Xi-Jie Dai、Oliver D. Engl、Thierry León、Stephen L. Buchwald

  DOI：10.1002/anie.201814331

  日期：2019.3.11

  heteroarenes render this method a practical and versatile approach for pyrrolidine synthesis. Additionally, this intramolecular hydroamination strategy facilitates the asymmetric synthesis of tetrahydroisoquinolines and medium‐ring dibenzo‐fused nitrogen heterocycles.

  本文中，我们报告了通过Suzuki-Miyaura交叉偶联和对映选择性铜催化的分子内加氢胺化反应制备α-芳基吡咯烷的实用两步合成路线。出色的立体选择性和药物相关杂芳烃转化底物的广泛范围使该方法成为吡咯烷合成的实用且通用的方法。此外，这种分子内加氢胺化策略促进了四氢异喹啉和中环二苯并稠合氮杂环的不对称合成。