3-溴-2-羟基-6-甲基吡啶 | 374633-33-7

• 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: 3-溴-2-羟基-6-甲基吡啶
• 中文别名: 2-羟基-3-溴-6-甲基吡啶
• 英文名称: 3-bromo-2-hydroxy-6-methylpyridine
• 英文别名: 3-bromo-6-methylpyridine-2-ol；3-bromo-6-methylpyridin-2-ol；3-bromo-6-methyl-1H-pyridin-2-one
• CAS: 374633-33-7
• 化学式: C₆H₆BrNO
• 分子量: 188.024
• InChiKey: NYYSVYAQWWOZFG-UHFFFAOYSA-N

物化性质

• 沸点：
  326.8±42.0 °C(Predicted)
• 密度：
  1.5296 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Name:	5-Bromo-6-hydroxy-2-picoline Material Safety Data Sheet
Synonym:	None
CAS:	374633-33-7

Section 1 - Chemical Product MSDS Name:5-Bromo-6-hydroxy-2-picoline Material Safety Data Sheet
Synonym:None

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
374633-33-7	5-Bromo-6-hydroxy-2-picoline	100	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.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

---

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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# 374633-33-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Solid
Color: Not available.
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: C6H6BrNO
Molecular Weight: 188

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Will not occur.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 374633-33-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Bromo-6-hydroxy-2-picoline - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

---

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# 374633-33-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 374633-33-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 374633-33-7 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-溴-2-羟基-6-甲基吡啶 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 三环己基膦 potassium phosphate 、 硝酸 、 sodium hydride 、 六甲基二硅氮烷 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 39.75h， 生成 2-(4-chloro-3-trifluoromethylphenoxy)-3-(4-fluorophenyl)-6-methyl-5-nitropyridine
  参考文献：
  名称：

  WO2008/101682

  摘要：

  公开号：
• 作为产物：
  描述：

  3,5-二溴-2-羟基-6-甲基嘧啶 在 正丁基锂 、 水 作用下， 以80%的产率得到3-溴-2-羟基-6-甲基吡啶
  参考文献：
  名称：

  Efficient Regioselective Preparationof Monobromo and Bromoiodo Hydroxy Pyridines from Dibromoderivativesvia Bromine-Lithium Exchange

  摘要：

  氢氧嘧啶的环状二溴化反应采用NBS在乙腈中进行，随后与RLi进行溴锂交换，最后用H2O或I2捕获，完全区域选择性地得到了单溴和溴碘衍生物。用NIS对溴氢氧嘧啶进行碘化反应也是完全区域选择性的。

  DOI：

  10.1055/s-2003-41013

文献信息

• [EN] IMIDAZO [1, 2 - B] PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF<br/>[FR] COMPOSÉS À BASE D'IMIDAZO [1, 2-B] PYRIDAZINE, COMPOSITIONS LES COMPRENANT ET UTILISATIONS DE CEUX-CI
  申请人：LEXICON PHARMACEUTICALS INC

  公开号：WO2013134219A1

  公开（公告）日：2013-09-12

  Imidazo[1,2-b]pyridazine-based compounds of the formula (I): are disclosed, wherein R1, R2 and R3 are defined herein. Compositions comprising the compounds and methods of their use to treat, manage and/or prevent diseases and disorders mediated by mediated by adaptor associated kinase 1 activity are also disclosed.

  基于咪唑并[1,2-b]吡啶嗪的化合物的公式（I）被披露，其中R1、R2和R3在此处被定义。还披露了包含这些化合物的组合物以及它们用于治疗、管理和/或预防由适配器相关激酶1活性介导的疾病和紊乱的方法。
• [EN] ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES<br/>[FR] ANALOGUES D'HEXAHYDROPYRIMIDINE ANTIPALUDIQUES
  申请人：UCB BIOPHARMA SPRL

  公开号：WO2019192992A1

  公开（公告）日：2019-10-10

  The application relates to a series of 2-imino-6-methylhexahydropyrimidin-4-one derivatives and 3-imino-5-methyl-l,2,4-thiadiazinane 1,1-dioxide derivatives of formula (I), substituted by an arylaminophenyl or heteroarylaminophenyl moiety. The compounds are potent inhibitors of the growth and propagation of the Plasmodium falciparum parasite in human blood and thus useful as pharmaceutical agents for the treatment of malaria.

  该应用涉及一系列以芳基氨基苯基或杂环芳基氨基苯基取代的2-亚氨基-6-甲基六氢嘧啶-4-酮衍生物和3-亚氨基-5-甲基-1,2,4-噻二唑啉-1,1-二氧化物衍生物的化合物，其化学式为(I)。这些化合物是对抗寄生于人体血液中的疟原虫Plasmodium falciparum生长和传播的有效抑制剂，因此可用作治疗疟疾的药物。
• [EN] INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1<br/>[FR] INHIBITEUR DE LA DÉMÉTHYLASE-1 SPÉCIFIQUE DE LA LYSINE
  申请人：QUANTICEL PHARMACEUTICALS INC

  公开号：WO2015089192A1

  公开（公告）日：2015-06-18

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted heterocyclic derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of lysine specific demethylase-1. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本文提供了替代杂环衍生物化合物和包含该化合物的药物组合物。所述化合物和组合物对于抑制赖氨酸特异性去甲基化酶-1是有用的。此外，所述化合物和组合物对于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等是有用的。
• [EN] INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1<br/>[FR] INHIBITEURS DE LA DÉMÉTHYLASE 1 SPÉCIFIQUE DE LA LYSINE
  申请人：QUANTICEL PHARMACEUTICALS INC

  公开号：WO2016037005A1

  公开（公告）日：2016-03-10

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted heterocyclic derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of lysine specific demethylase-1. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本文提供了替代杂环衍生物化合物和包含该化合物的药物组合物。所述化合物和组合物对于抑制赖氨酸特异性去甲基化酶-1是有用的。此外，所述化合物和组合物对于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等是有用的。
• TETRAZOLINONE COMPOUND AND USE THEREFOR
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160157489A1

  公开（公告）日：2016-06-09

  A tetrazolinone compound represented by formula (1): wherein R 1 and R 2 are the same or different and represent a hydrogen atom, etc.; R 3 represents a C1-C6 alkyl group, etc.; R 4 , R 5 , and R 6 are the same or different and represent a hydrogen atom, etc.; A represents a C6-C10 aryl group optionally having one or more atoms or groups selected from Group P 1 , etc.; Q represents the following group Q1; and X represents an oxygen atom, has excellent control activity against pests.

  公式（1）所代表的四唑酮化合物： 其中R1和R2相同或不同，代表氢原子等；R3代表C1-C6烷基等；R4、R5和R6相同或不同，代表氢原子等；A代表一个C6-C10芳基，可选地具有来自P1等组的一个或多个原子或基团；Q代表以下Q1基团；X代表一个氧原子，对害虫有出色的控制活性。