首页分子通化学资讯化学百科反应查询关于我们

请输入关键词

热门化合物HOT

喹啉
水杨醛
二溴甲烷
谷胱甘肽
L-乳酸
苯巴比妥
辣椒碱
非那明
百草枯
联苯烯

5-溴嘧啶-2-羧酸 | 37131-87-6

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 - 二嗪类

中文名称

5-溴嘧啶-2-羧酸

中文别名

2-羧酸-5-溴嘧啶；5-溴-2-嘧啶甲酸；5-溴嘧啶-2-甲酸

英文名称

5-bromo-2-pyrimidinecarboxylic acid

英文别名

5-bromopyrimidine-2-carboxylic acid

CAS

37131-87-6

化学式

C₅H₃BrN₂O₂

mdl

——

分子量

202.995

InChiKey

XGPTXUYKEDPXCO-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

193-198℃
沸点：

419.7±37.0 °C(Predicted)
密度：

1.940±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

0.8
重原子数：

10
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：

63.1
氢给体数：

1
氢受体数：

4

安全信息

海关编码：

2933599090
危险性防范说明：

P261,P305+P351+P338
危险性描述：

H315,H319,H335
储存条件：

2-8°C

SDS

SDS：aa03e919066a3cfa0ac0b4cbc7f16056

查看

Material Safety Data Sheet

Section 1. Identiﬁcation of the substance
5-Bromopyrimidine-2-carboxylic acid
Product Name:
Synonyms:

Section 2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

Section 3. Composition/information on ingredients.
5-Bromopyrimidine-2-carboxylic acid
Ingredient name:
CAS number: 37131-87-6

Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

Section 5. Fire ﬁghting measures
In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualiﬁed
in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels.

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
Not speciﬁed
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H3BrN2O2
Molecular weight: 203

Section 10. Stability and reactivity
Conditions to avoid: Heat, ﬂames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法：医药生物化工中间体。

用途简介：暂无内容。

上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
5-溴-2-嘧啶甲酸甲酯	methyl 5-bromopyrimidine-2-carboxylate	89581-38-4	C₆H₅BrN₂O₂	217.022
嘧啶-2-羧酸	pyrimidine-2-carboxylic acid	31519-62-7	C₅H₄N₂O₂	124.099
(5-溴-2-嘧啶基)甲醇	(5-bromopyrimidin-2-yl)methanol	22433-12-1	C₅H₅BrN₂O	189.011
——	tert-butyl 5-bromopyrimidine-2-carboxylate	955885-59-3	C₉H₁₁BrN₂O₂	259.103
——	5-bromopyrimidine-2-carbonyl chloride	1013335-78-8	C₅H₂BrClN₂O	221.441
——	5-cyanopyrimidine-2-carboxylic acid	1200497-85-3	C₆H₃N₃O₂	149.109

反应信息

作为反应物：

描述：

5-溴嘧啶-2-羧酸生成嘧啶-2-羧酸

参考文献：

名称：

Holland; Slack, Chemistry and industry, 1954, p. 1203

摘要：

DOI：
作为产物：

描述：

2-甲基嘧啶在溴、 sodium acetate 、 silver nitrate 、溶剂黄146 作用下，生成 5-溴嘧啶-2-羧酸

参考文献：

名称：

Holland; Slack, Chemistry and industry, 1954, p. 1203

摘要：

DOI：

点击查看最新优质反应信息

文献信息

[EN] SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES<br/>[FR] DÉRIVÉS AZA HÉTÉROCYCLIQUES SUBSTITUÉS

申请人：GRUENENTHAL GMBH

公开号：WO2013013817A1

公开（公告）日：2013-01-31

The invention relates to heterocyclic aza derivatives as vanilloid receptor ligands, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

这项发明涉及杂环氮杂基衍生物作为辣椒素受体配体，含有这些化合物的药物组合物，以及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。
Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands

申请人：FRANK Robert

公开号：US20130029962A1

公开（公告）日：2013-01-31

Substituted heteroaromatic pyrazole-containing carboxamide and urea compounds as vanilloid receptor ligands, pharmaceutical compositions containing these compounds and also to a method of using these compounds for treating and/or inhibiting pain and further diseases and/or disorders.

含有杂环吡唑基的羧酰胺和脲化合物作为辣椒素受体配体，含有这些化合物的药物组合物，以及使用这些化合物治疗和/或抑制疼痛以及进一步疾病和/或疾病的方法。
ANTIBACTERIAL COMPOUNDS

申请人：PALMER James T.

公开号：US20120088750A1

公开（公告）日：2012-04-12

The present invention provides a compound of the following formula and salts thereof: Also provided is the use of these compounds as antibacterials, compositions comprising them and processes for their manufacture.

本发明提供了一种具有以下公式和其盐类的化合物：还提供了这些化合物作为抗生素的使用，包括它们的组合物以及它们的制造工艺。
[EN] PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE<br/>[FR] COMPOSÉS À BASE DE 1,3-OXAZIN-2-AMINE FUSIONNÉE AVEC DU CYCLOPROPYLE PERFLUORÉ UTILISABLES EN TANT QU'INHIBITEURS DE LA BÊTA-SÉCRÉTASE ET LEURS PROCÉDÉS D'UTILISATION

申请人：AMGEN INC

公开号：WO2014138484A1

公开（公告）日：2014-09-12

PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE ABSTRACT OF THE DISCLOSURE The present invention provides a new class of compounds useful for the modulation of beta-secretase enzyme (BACE) activity. The compounds have a general Formula I: INSERT STRUCTURE HERE} I wherein variables A4, A5, A6, A8, each of Ra, Rb, R1, R2, R3 and R7 of Formula I, independently, are defined herein. The invention also provides pharmaceutical compositions comprising the compounds, and uses of the compounds and compositions for treatment of disorders and/or conditions related to A-beta plaque formation and deposition, resulting from the biological activity of BACE. Such BACE mediated disorders include, for example, Alzheimer's Disease, cognitive deficits, cognitive impairments, schizophrenia and other central nervous system conditions. The invention further provides compounds of Formulas II and III, and sub-formula embodiments thereof, intermediates and methods for preparing compounds of the invention.

本发明提供了一类新的化合物，用于调节β-分泌酶（BACE）活性。这些化合物具有一般的化学式I：在此插入结构} I，其中变量A4、A5、A6、A8，以及化学式I中的每个Ra、Rb、R1、R2、R3和R7，在本文中分别定义。该发明还提供了包含这些化合物的药物组合物，以及用于治疗与A-beta斑块形成和沉积相关的疾病和/或症状的化合物和组合物的用途，这些疾病和症状是由BACE的生物活性引起的。这种由BACE介导的疾病包括阿尔茨海默病、认知缺陷、认知障碍、精神分裂症和其他中枢神经系统疾病。该发明还提供了化学式II和III的化合物，以及其亚式化合物、中间体和制备本发明化合物的方法。
Substituted Heterocyclic Aza Compounds

申请人：FRANK Robert

公开号：US20130029961A1

公开（公告）日：2013-01-31

Heterocyclic aza compounds as vanilloid receptor ligands, pharmaceutical compositions containing these compounds and also methods of using these compounds for the treatment and/or inhibition of pain and further diseases and/or disorders.

杂环氮化合物作为辣椒素受体配体，含有这些化合物的药物组合物，以及使用这些化合物用于治疗和/或抑制疼痛以及其他疾病和/或疾病的方法。