摩熵化学
数据库官网
小程序
打开微信扫一扫
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

7-苯并噻唑羧酸 | 677304-83-5

中文名称
7-苯并噻唑羧酸
中文别名
7-羧基苯并噻唑;7-羧酸-1,3-苯并噻唑
英文名称
benzo[d]thiazole-7-carboxylic acid
英文别名
1,3-benzothiazole-7-carboxylic acid
7-苯并噻唑羧酸化学式
CAS
677304-83-5
化学式
C8H5NO2S
mdl
——
分子量
179.199
InChiKey
ORSZGLLQNYSMNO-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    >300°C
  • 密度:
    1.508
  • 溶解度:
    碱性溶液(微溶)、DMSO(微溶)、甲醇(微溶)

计算性质

  • 辛醇/水分配系数(LogP):
    1.9
  • 重原子数:
    12
  • 可旋转键数:
    1
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    78.4
  • 氢给体数:
    1
  • 氢受体数:
    4

安全信息

  • 海关编码:
    2934200090
  • 危险性防范说明:
    P261,P305+P351+P338
  • 危险性描述:
    H302,H315,H319,H335

SDS

SDS:d80570f27e6fdb57d850ae18acbf7aba
查看
Material Safety Data Sheet

Section 1. Identification of the substance
Product Name: Benzo[d]thiazole-7-carboxylic acid
Synonyms:

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: Benzo[d]thiazole-7-carboxylic acid
CAS number: 677304-83-5

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
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.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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.
Store in closed vessels.
Storage:

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
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C8H5NO2S
Molecular weight: 179.2

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, sulfur oxides.

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

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    7-苯并噻唑羧酸N-甲基吗啉盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下, 以 四氢呋喃N-甲基吡咯烷酮二氯甲烷二丁醚 为溶剂, 反应 6.08h, 生成 1-(benzo[d]thiazol-7-yl)ethan-1-one
    参考文献:
    名称:
    [EN] MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS
    [FR] ANTAGONISTES DES RÉCEPTEURS MUSCARINIQUES DE L'ACÉTYLCHOLINE M1
    摘要:
    本文提供了一些化合物,这些化合物可用作胆碱能乙酰胆碱受体M1(mAChR M1)的拮抗剂;制备这些化合物的合成方法;包含这些化合物的药物组合物;以及使用这些化合物和组合物治疗与胆碱能乙酰胆碱受体功能障碍相关的神经和精神疾病的方法。
    公开号:
    WO2021071843A1
  • 作为产物:
    描述:
    N-[3-(甲氧羰基)苯基]硫代氨基亚胺酸溶剂黄146 、 sodium hydroxide 、 亚硝酸异戊酯 作用下, 以 四氢呋喃甲醇 为溶剂, 反应 8.5h, 生成 7-苯并噻唑羧酸
    参考文献:
    名称:
    [EN] 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES
    [FR] DÉRIVÉS DE 2-AZA-BICYCLO[2.2.1]HEPTANE
    摘要:
    这项发明涉及公式(I)中的新型2-aza-双环[2.2.1]庚烷衍生物,其中A、B、n和R1如描述中所述,并且涉及将这类化合物或这类化合物的药用盐用作药物,特别是用作促觉醒素受体拮抗剂。
    公开号:
    WO2009104155A1
点击查看最新优质反应信息

文献信息

  • [EN] ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE "RIG-I' PATHWAY AND METHODS OF USE THEREOF<br/>[FR] ACTIVATEURS DE LA VOIE DU GÈNE INDUCTIBLE PAR L'ACIDE RÉTINOÏQUE "RIG-I" ET LEURS PROCÉDÉS D'UTILISATION
    申请人:KINETA INC
    公开号:WO2020036574A1
    公开(公告)日:2020-02-20
    The present invention is directed to compounds of Formula (I), which are activators of the RIG-I pathway.
    本发明涉及式(I)化合物,该化合物是RIG-I通路的激活剂。
  • ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE "RIG-I" PATHWAY AND METHODS OF USE THEREOF
    申请人:Kineta Immuno-Oncology LLC
    公开号:US20200055871A1
    公开(公告)日:2020-02-20
    The present invention is directed to compounds of Formula (I), which are activators of the RIG-I pathway.
    本发明涉及式(I)化合物,该化合物是RIG-I通路的激活剂。
  • [EN] MONOACYLGLYCEROL LIPASE MODULATORS<br/>[FR] MODULATEURS DE LA MONOACYLGLYCÉROL LIPASE
    申请人:JANSSEN PHARMACEUTICA NV
    公开号:WO2021191359A1
    公开(公告)日:2021-09-30
    Fused and bridged compounds of Formula (I), and pharmaceutically acceptable salts, isotopes, N-oxides, solvates, and stereoisomers thereof, pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, autism spectrum disorders, Asperger syndrome, bipolar disorder), cancers and eye conditions: (I) wherein R1a, R1b, R2, and R3, are defined herein.
    化合物的融合和桥联化合物的化学式(I),以及其药用可接受的盐、同位素、N-氧化物、溶剂合物和立体异构体,含有它们的药物组合物,制备它们的方法,以及使用它们的方法,包括用于治疗与MGL调节相关的疾病状态、紊乱和症状的方法,例如与疼痛、精神紊乱、神经紊乱(包括但不限于重度抑郁症、治疗抵抗性抑郁症、焦虑性抑郁症、自闭症谱系障碍、亚斯伯格综合症、双相情感障碍)、癌症和眼部疾病相关的方法:(I)其中R1a、R1b、R2和R3在此定义。
  • THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
    申请人:Aissaoui Hamed
    公开号:US20100113531A1
    公开(公告)日:2010-05-06
    The invention relates to novel thiazolidine derivatives of the formula (I) wherein A and R 1 are as described in the description and their use as medicaments, especially as orexin receptor antagonists.
    本发明涉及式(I)的新噻唑啉衍生物,其中A和R1如描述中所述,以及它们作为药物的使用,尤其是作为食欲素受体拮抗剂的使用。
  • Monoacylglycerol Lipase Modulators
    申请人:Janssen Pharmaceutica NV
    公开号:US20200102303A1
    公开(公告)日:2020-04-02
    Fused compounds of Formula (I) and Formula (II), pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, bipolar disorder), cancers and eye conditions. Wherein R 1 , R 2 , R 2a , R 3 , R 3a , R 4 , and R 4a are defined herein.
    化合物的结构式(I)和结构式(II),含有它们的药物组合物,制备它们的方法,以及使用它们的方法,包括用于治疗与MGL调节相关的疾病状态、紊乱和病况的方法,例如与疼痛、精神障碍、神经障碍(包括但不限于重性抑郁障碍、治疗抵抗性抑郁症、焦虑性抑郁症、躁郁症)、癌症和眼部疾病相关的方法。 其中R1、R2、R2a、R3、R3a、R4和R4a在此处定义。
查看更多

同类化合物

(1Z)-1-(3-乙基-5-羟基-2(3H)-苯并噻唑基)-2-丙酮 齐拉西酮砜 齐帕西酮-d8 阳离子蓝NBLH 阳离子荧光黄4GL 锂2-(4-氨基苯基)-5-甲基-1,3-苯并噻唑-7-磺酸酯 铜酸盐(4-),[2-[2-[[2-[3-[[4-氯-6-[乙基[4-[[2-(硫代氧代)乙基]磺酰]苯基]氨基]-1,3,5-三嗪-2-基]氨基]-2-(羟基-kO)-5-硫代苯基]二氮烯基-kN2]苯基甲基]二氮烯基-kN1]-4-硫代苯酸根(6-)-kO]-,(1:4)氢,(SP-4-3)- 铜羟基氟化物 钾2-(4-氨基苯基)-5-甲基-1,3-苯并噻唑-7-磺酸酯 钠3-(2-{(Z)-[3-(3-磺酸丙基)-1,3-苯并噻唑-2(3H)-亚基]甲基}[1]苯并噻吩并[2,3-d][1,3]噻唑-3-鎓-3-基)-1-丙烷磺酸酯 邻氯苯骈噻唑酮 西贝奈迪 螺[3H-1,3-苯并噻唑-2,1'-环戊烷] 螺[3H-1,3-苯并噻唑-2,1'-环己烷] 葡萄属英A 草酸;N-[1-[4-(2-苯基乙基)哌嗪-1-基]丙-2-基]-2-丙-2-基氧基-1,3-苯并噻唑-6-胺 苯酰胺,N-2-苯并噻唑基-4-(苯基甲氧基)- 苯酚,3-[[2-(三苯代甲基)-2H-四唑-5-基]甲基]- 苯胺,N-(3-苯基-2(3H)-苯并噻唑亚基)- 苯碳杂氧杂脒,N-1,2-苯并异噻唑-3-基- 苯甲酸,4-(6-辛基-2-苯并噻唑基)- 苯甲基2-甲基哌啶-1,2-二羧酸酯 苯并噻唑正离子,2-[3-(1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基)-1-丙烯-1-基]-3-乙基-,碘化(1:1) 苯并噻唑正离子,2-[2-[4-(二甲氨基)苯基]乙烯基]-3-乙基-6-甲基-,碘化 苯并噻唑正离子,2-[(2-乙氧基-2-羰基乙基)硫代]-3-甲基-,溴化 苯并噻唑啉 苯并噻唑三氯金(III) 苯并噻唑-d4 苯并噻唑-7-乙酸 苯并噻唑-6-腈 苯并噻唑-5-羧酸 苯并噻唑-5-硼酸频哪醇酯 苯并噻唑-4-醛 苯并噻唑-4-乙酸 苯并噻唑-2-磺酸钠 苯并噻唑-2-磺酸 苯并噻唑-2-磺酰氟 苯并噻唑-2-甲醛 苯并噻唑-2-甲酸 苯并噻唑-2-甲基甲胺 苯并噻唑-2-基磺酰氯 苯并噻唑-2-基甲基-乙基-胺 苯并噻唑-2-基叠氮化物 苯并噻唑-2-基-邻甲苯-胺 苯并噻唑-2-基-己基-胺 苯并噻唑-2-基-(4-氯-苯基)-胺 苯并噻唑-2-基-(4-氟-苯基)-胺 苯并噻唑-2-基-(4-乙氧基-苯基)-胺 苯并噻唑-2-基-(2-甲氧基-苯基)-胺 苯并噻唑-2-基-(2,6-二甲基-苯基)-胺