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4-氯-6-碘喹唑啉 | 98556-31-1

中文名称
4-氯-6-碘喹唑啉
中文别名
6-碘-4-氯喹唑啉;6-碘-4-氯-喹唑啉
英文名称
4-chloro-6-iodo quinazoline
英文别名
4-Chloro-6-iodoquinazoline
4-氯-6-碘喹唑啉化学式
CAS
98556-31-1
化学式
C8H4ClIN2
mdl
MFCD01862193
分子量
290.491
InChiKey
BDAIUOPDSRAOKI-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:
    175.0 to 179.0 °C
  • 沸点:
    363.2±22.0 °C(Predicted)
  • 密度:
    2.017±0.06 g/cm3(Predicted)
  • 溶解度:
    氯仿(微溶)、甲醇(微溶、加热)

计算性质

  • 辛醇/水分配系数(LogP):
    3.2
  • 重原子数:
    12
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    25.8
  • 氢给体数:
    0
  • 氢受体数:
    2

安全信息

  • 海关编码:
    2933990090
  • 危险性防范说明:
    P261,P305+P351+P338
  • 危险性描述:
    H302,H315,H319,H335
  • 储存条件:
    存放于惰性气体中,避免接触空气。

SDS

SDS:d5c8351311e2f8593185e65c91005457
查看
Material Safety Data Sheet

Section 1. Identification of the substance
Product Name: 4-Chloro-6-iodoquinazoline
Synonyms:

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

Section 3. Composition/information on ingredients.
Ingredient name: 4-Chloro-6-iodoquinazoline
CAS number: 98556-31-1

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, refrigerated.
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: C8H4ClIN2
Molecular weight: 290.5

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 chloride, hydrogen Iodide.

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

4-氯-6-碘喹唑啉是一种药物化学与有机合成中间体,是用于合成具有抗真菌活性的喹唑啉硒化合物的重要步骤。在合成过程中,其结构中的原子可以被亲核试剂如有机胺或醇类化合物进攻,从而得到脱官能团化的产物。此外,单元也易于进行偶联反应和相应的取代反应,进一步拓展其实用价值。

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
  • 下游产品
    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:
    4-氯-6-碘喹唑啉 作用下, 以 乙醇 为溶剂, 反应 1.0h, 生成 6-碘-4-氨基喹唑啉
    参考文献:
    名称:
    [EN] PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES
    [FR] DERIVES DE PHENYLALANINE UTILISES COMME INHIBITEURS DE LA DIPEPTIDYL PEPTIDASE DANS LE TRAITEMENT OU LA PREVENTION DU DIABETE
    摘要:
    本发明涉及苯丙氨酸衍生物,这些衍生物是二肽基肽酶-IV酶('DP-IV抑制剂')的抑制剂,并且在治疗或预防涉及二肽基肽酶-IV酶的疾病中具有用处,如糖尿病,特别是2型糖尿病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及二肽基肽酶-IV酶的这类疾病中使用这些化合物和组合物。
    公开号:
    WO2004043940A1
  • 作为产物:
    描述:
    2-氨基-5-碘苯甲酸甲酯草酰氯 作用下, 以 四氢呋喃N,N-二甲基甲酰胺 为溶剂, 反应 4.0h, 生成 4-氯-6-碘喹唑啉
    参考文献:
    名称:
    상피세포성장인자수용체 변이체를 가진 종양 진단 및 종양 성장 억제 활성을 갖는 신규 화합물 및 이를 포함하는 의학적 용도
    摘要:
    本发明涉及一种具有上皮细胞生长因子受体突变体的肿瘤诊断和抑制肿瘤生长活性的新化合物或其盐,包括其作为造影剂的使用,以及包含其作为有效成分的EGFR相关癌症治疗或预防药物组合物。根据本发明,新化合物或其盐可以选择性地抑制EGFR突变体,而不抑制野生型EGFR,因此可以治疗和预防EGFR相关癌症,如肺癌、结肠癌或乳腺癌,特别是有效地治疗和预防非小细胞肺癌,而伊莫替尼和塔塞帕钠无效的肺癌。此外,根据本发明,新化合物或其盐可以针对具有EGFR T790M突变的癌细胞或对ZD1839敏感性的癌细胞进行选择性响应,而不是野生型EGFR过度表达的癌细胞,因此可以作为可用于清晰区分EGFR相关癌细胞的造影剂。
    公开号:
    KR20170015848A
  • 作为试剂:
    参考文献:
    名称:
    [EN] BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS
    [FR] COMPOSES HETEROAROMATIQUES BICYCLIQUES AGISSANT COMME INHIBITEURS DE LA TYROSINE KINASE
    摘要:
    (中文翻译)本发明公开了一种式(I)的取代杂芳香化合物,其中X为N或CH;Y为CR1,V为N;或Y为N,V为CR1;或Y为CR1,V为CR2;或Y为CR2,V为CR1;R1代表一个CH3SO2CH2CH2NHCH2-Ar-基团,其中Ar选择自苯基、呋喃、噻吩、吡咯和噻唑,每个基团可以选择性地被一个或两个卤、C1-4烷基或C1-4烷氧基取代;R2选择自氢、卤、羟基、C1-4烷基、C1-4烷氧基、C1-4烷基氨基和二[C1-4烷基]氨基的基团;U代表一个苯基、吡啶基、3H-咪唑基、吲哚基、异吲哚基、吲哚啉基、异吲哚啉基、1H-吲唑基、2,3-二氢-1H-吲唑基、1H-苯并咪唑基、2,3-二氢-1H-苯并咪唑基或1H-苯并三唑基基团,该基团被R3基团取代,且可以选择性地被至少一个独立选择的R4基团取代;R3选择自苄基、卤代苄基、二卤代苄基和三卤代苄基、苯甲酰基、吡啶基甲基、吡啶基甲氧基、苯氧基、苄氧基、卤代苄氧基、二卤代苄氧基和三卤代苄氧基以及苯磺酰基,或R3代表三卤甲基苄基或三卤甲基苄氧基;或R3代表式(a)的基团,其中每个R5独立选择自卤素、C1-4烷基或C1-4烷氧基;n为0到3;每个R4独立选择自羟基、卤素、C1-4烷基、C2-4烯基、C2-4炔基、C1-4烷氧基、氨基、C1-4烷基氨基、二[C1-4烷基]氨基、C1-4烷基硫醇基、C1-4烷基亚砜基、C1-4烷基磺酰基、C1-4烷基羰基、羧基、氨基甲酰基、C1-4烷氧基羰基、C1-4酰胺基、N-(C1-4烷基)氨基甲酰基、N,N-二(C1-4烷基)氨基甲酰基、氰基、硝基和三氟甲基;还公开了它们的制备方法、包含它们的制药组合物以及它们在医药上的应用。
    公开号:
    WO1999035146A1
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文献信息

  • PROTOZOAN PARASITE GROWTH INHIBITORS
    申请人:Northeastern University
    公开号:US20150259331A1
    公开(公告)日:2015-09-17
    Compounds and methods for inhibiting growth of a protozoan parasite. Methods of treating a protozoan parasite infection in a subject by administering a therapeutically effective amount of a compound as disclosed herein. The compounds and methods can be used to inhibit growth of protozoan parasites such as Trypanosoma brucei, Trypanosoma cruzi, Leishmania spp., and Plasmodium spp.
    用于抑制原生动物寄生虫生长的化合物和方法。通过向主体施用如本文所述的治疗有效量的化合物来治疗原生动物寄生虫感染的方法。这些化合物和方法可用于抑制如非洲锥虫、克鲁兹锥虫、利什曼原虫属和疟原虫属等原生动物寄生虫的生长。
  • Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors
    申请人:Novartis AG
    公开号:US09199973B2
    公开(公告)日:2015-12-01
    A pharmaceutical formulation comprising the compound of formula
    一种药物制剂,包括以下公式的化合物
  • [EN] A NOVEL PROCESS FOR THE PREPARATION OF LAPATINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS<br/>[FR] NOUVEAU PROCÉDÉ DE PRÉPARATION DE LAPATINIB ET DE SES SELS DE QUALITÉ PHARMACEUTIQUE
    申请人:NATCO PHARMA LTD
    公开号:WO2010061400A1
    公开(公告)日:2010-06-03
    The present invention relates to an improved and novel process for the preparation of high purity crystalline base of Lapatinib of formula-(l) having chemical name N-3-chloro-4-[(3- fluorobenzyloxy]phenyl}-6-[5-([2-(methanesuIfonyl) ethyl]amino}methyl]-2-furyl]-4-quin - azolinamine and its pharmaceutically acceptable salts. The present invention further relates to intermediates according to formula (8) and formula (9) used in this process
    本发明涉及一种改进的和新颖的制备高纯度拉帕替尼晶态碱的工艺,其化学名为N-3--4-[(3-氟苯甲基氧基]苯基}-6-[5-([2-(甲磺酰基)乙基]基}甲基]-2-呋喃基]-4-喹唑啉胺,及其药用可接受的盐。本发明进一步涉及在此工艺中使用的根据公式(8)和公式(9)的中间体。
  • Substituted bicyclic derivatives useful as anticancer agents
    申请人:Pfizer Inc.
    公开号:US06284764B1
    公开(公告)日:2001-09-04
    The invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts and solvates thereof, wherein A, X, R1, R3 and R4 are as defined herein. The invention also relates to methods of treating abnormal cell growth in mammals with administering the compounds of formula 1 and to pharmaceutical compositions for treating such disorders which contain the compounds of formula 1. The invention also relates to methods of preparing the compounds of formula 1.
    本发明涉及式1化合物以及医药可接受的盐和溶剂化物,其中A、X、R1、R3和R4如本文所述定义。本发明还涉及使用式1化合物治疗哺乳动物中异常细胞生长的方法,以及包含式1化合物的用于治疗这些疾病的药物组合物。本发明还涉及制备式1化合物的方法。
  • Anilinoquinazolines as protein tyrosine kinase inhibitors
    申请人:Cockerill George Stuart
    公开号:US06933299B1
    公开(公告)日:2005-08-23
    Heteroaromatic compounds are described, methods for their preparation, pharmaceutical compositions containing them, methods of use, and their use in medicines. In particular, the invention relates to quinazoline and pyridopyrimidine derivatives which exhibit protein tyrosine kinase inhibition.
    杂环芳香族化合物被描述,包括它们的制备方法、含有它们的药物组合物、使用方法以及它们在药物中的用途。特别是,本发明涉及喹唑啉吡啶嘧啶生物,这些衍生物表现出蛋白酪氨酸激酶的抑制作用。
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