95095-84-4 (3-氨基-6-氯嘧啶-2-腈基,3-Amino-6-chloropyridine-2-carbonitrile)

快速询单

结构式：

3-氨基-6-氯嘧啶-2-腈基MOL文件

CAS号：

95095-84-4

中文名称：

3-氨基-6-氯嘧啶-2-腈基

英文名称：

3-Amino-6-chloropyridine-2-carbonitrile

分子式：

C₆H₄ClN₃

分子量：

153.569059371948

3-氨基-6-氯嘧啶-2-腈基(95095-84-4)名称与标识符

名称

中文别名：

3-氨基-6-氯吡啶-2-甲腈;(S)-N-叔丁氧羰基-3-氨基-4-(4-甲基苯基)丁酸;2,4,6-三氟苯腈;3-氨基-6-氯吡定-2-甲腈;3-氨基-6-氯嘧啶-2-腈基;

英文别名：

3-Amino-6-chloropicolinonitrile;2-Pyridinecarbonitrile,3-amino-6-chloro-;3-Amino-6-chloropyridine-2-carbonitrile;2-cyano-6-chloro-3-pyridinylamine;3-amino-2-cyano-6-chloropyridine;3-AMINO-6-CHLORO-2-CYANOPYRIDINE;3-Amino-6-chloro-2-pyridinecarbonitrile;3-amino-6-chloro-pyridine-2-carbonitrile;GGQNLFCQZACXET-UHFFFAOYSA-N;2-PYRIDINECARBONITRILE, 3-AMINO-6-CHLORO-;3-amino-6-chloro2-cyanopyridine;SBB051905;6337AC;KM3328;FCH836110;TRA0075711;VP14469;OR30951;AB42553;2-Pyridinecarbonitril;3-Amino-6-chloro-2-pyridinecarbonitrile (ACI);

标识符

MDL：

MFCD07780767

InChIKey：

GGQNLFCQZACXET-UHFFFAOYSA-N

Inchi：

1S/C6H4ClN3/c7-6-2-1-4(9)5(3-8)10-6/h1-2H,9H2

SMILES：

N#CC1C(N)=CC=C(Cl)N=1

3-氨基-6-氯嘧啶-2-腈基(95095-84-4)物化性质

实验特性

LogP : 1.77008
PSA : 62.70000
沸点 : 372.4 ℃ at 760 mmHg
熔点 : 175-176.5 ºC (ethanol )
闪点 : 179℃
溶解度 : 微溶 (1.5 g/L) (25 ºC),
密度 : 1.42±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 153.00900
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 0
重原子数量 : 10
复杂度 : 162
拓扑分子极性表面积 : 62.7

3-氨基-6-氯嘧啶-2-腈基(95095-84-4)海关数据

海关编码：

2933399090

海关数据：

中国海关编码：

2933399090

概述：

2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-氨基-6-氯嘧啶-2-腈基(95095-84-4)推荐厂家更多厂家(20)

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3-氨基-6-氯嘧啶-2-腈基(95095-84-4)合成路线

合成路线：1 步

93683-65-9

_87%

95095-84-4

反应条件：

1.1 Reagents: Iron , Hydrochloric acid Solvents: Ethanol , Water ; reflux; 30 min, reflux
1.2 Reagents: Water ; cooled
1.3 Reagents: Ammonium hydroxide Solvents: Water ; basified

参考文献：

Preparation of arenotriazine derivatives as tyrosine kinase inhibitors for treatment of cancer

, China, , ,

合成路线：1 步

93683-65-9

_80%

95095-84-4

反应条件：

1.1 Reagents: Tetrabutylammonium bromide , Sodium dithionite Solvents: Dichloromethane , Water ; overnight, rt

参考文献：

Optimization of 4,6-Disubstituted Pyrido[3,2-d]pyrimidines as Dual MNK/PIM Inhibitors to Inhibit Leukemia Cell Growth

Han, Yu; Zhang, Huimin; Wang, Shuxiang; Li, Bo; Xing, Kun; et al, Journal of Medicinal Chemistry, 2021, 64(18), 13719-13735

合成路线：1 步

93683-65-9

_80%

95095-84-4

反应条件：

1.1 Reagents: Sodium hydroxide Catalysts: Tetrabutylammonium bromide Solvents: Dichloromethane , Water ; overnight, rt

参考文献：

4,6-Disubstituted pyrido[3,2-d]pyrimidine compound, its preparation and application in preparation of MNK inhibitor and drug for treating and/or preventing various cancers and/or metabolic diseases

, China, , ,

合成路线：1 步

93683-65-9

_80%

95095-84-4

反应条件：

1.1 Reagents: Acetic acid Solvents: Water ; 20 min, rt
1.2 Reagents: Sodium dithionite ; rt; 2 h, rt

参考文献：

Pyrido[3,2-d]pyrimidines as immunosuppressive agents, and their preparation, pharmaceutical compositions and use in medical treatment

, United States, , ,

合成路线：1 步

93683-65-9

_80%

95095-84-4

反应条件：

1.1 Reagents: Acetic acid Solvents: Water ; 20 min, rt
1.2 Reagents: Sodium dithionite ; rt; 2 h, rt

参考文献：

Preparation of pyrido[3,2-d]pyrimidines for treating hepatitis C infection

, World Intellectual Property Organization, , ,

合成路线：1 步

93683-65-9

_80%

95095-84-4

反应条件：

1.1 Reagents: Acetic acid Solvents: Water ; 20 min, rt
1.2 Reagents: Sodium dithionite ; rt; 2 h, rt

参考文献：

Preparation of pyrido(3,2-d)pyrimidines and use as immunosuppressive prodrugs

, World Intellectual Property Organization, , ,

合成路线：1 步

93683-65-9

_59%

95095-84-4

反应条件：

1.1 Reagents: Stannous chloride Solvents: Ethanol ; 2 h, reflux

参考文献：

Substituted azaquinazolinones as modulators of GHSr-1a for the treatment of type II diabetes and obesity

Hanrahan, Patrick; Bell, James; Bottomley, Gillian; Bradley, Stuart; Clarke, Phillip; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(6), 2271-2278

合成路线：1 步

93683-65-9

_58%

95095-84-4

反应条件：

1.1 Reagents: Iron , Hydrochloric acid Solvents: Methanol ; 45 min, reflux
1.2 Reagents: Ammonium hydroxide Solvents: Water ; basified

参考文献：

Preparation of cyclic urea and cyclic amide derivatives as agonists and antagonists of the progesterone receptor

, World Intellectual Property Organization, , ,

合成路线：1 步

93683-65-9

_58%

95095-84-4

反应条件：

1.1 Reagents: Iron , Hydrochloric acid Solvents: Methanol , Water ; 45 min, reflux
1.2 Reagents: Ammonium hydroxide Solvents: Water ; basified

参考文献：

Cyclic regimens using cyclic urea and cyclic amide derivatives

, World Intellectual Property Organization, , ,

合成路线：1 步

93683-65-9

_48%

95095-84-4

反应条件：

1.1 Reagents: Acetic acid , Sodium dithionite Solvents: Water ; 20 °C; 12 h, 60 °C

参考文献：

6-Heterocycloalkylquinazoline derivatives as anticancer agents and their preparation

, World Intellectual Property Organization, , ,

合成路线：1 步

93683-65-9

_40%

95095-84-4

反应条件：

1.1 Reagents: Sodium thiosulfate Solvents: Dichloromethane , Water ; 3.5 h, rt
1.2 Reagents: Potassium carbonate Solvents: Water ; 30 min, neutralized, rt

参考文献：

Design and synthesis of substituted pyrido[3,2-d]-1,2,3-triazines as potential Pim-1 inhibitors

Fan, Yin-Bo; Li, Kun; Huang, Min; Cao, Yu; Li, Ying; et al, Bioorganic & Medicinal Chemistry Letters, 2016, 26(4), 1224-1228

合成路线：1 步

93683-65-9

_34%

95095-84-4

参考文献：

Synthesis and antimalarial properties of 2,4-diamino-6-[(aryl)thio, sulfinyl, and sulfonyl]pyrido[3,2-d]pyrimidines

Colbry, Norman L.; Elslager, Edward F.; Werbel, Leslie M., Journal of Heterocyclic Chemistry, 1984, 21(5), 1521-5

合成路线：1 步

93683-65-9

95095-84-4

反应条件：

1.1 Reagents: Iron , Hydrochloric acid Solvents: Ethanol , Water ; rt; 30 min, reflux
1.2 Reagents: Sodium bicarbonate Solvents: Water ; basified

参考文献：

Preparation of cyclohexylpyridine derivatives with NK1 receptor antagonistic action and suppressed CYP3A4 inhibitory action, and pharmaceutical compositions containing them

, World Intellectual Property Organization, , ,

合成路线：1 步

93683-65-9

95095-84-4

反应条件：

1.1 Reagents: Iron , Hydrochloric acid Solvents: Ethanol , Water ; rt; 10 min, rt → reflux

参考文献：

Preparation of (carboxymethyl)piperidine derivatives as NK1 receptor antagonists for treatment and prevention of antitumor agent-induced nausea and vomiting

, World Intellectual Property Organization, , ,

合成路线：1 步

93683-65-9

95095-84-4

反应条件：

1.1 Reagents: Sodium dithionite Catalysts: Tetrabutylammonium bromide Solvents: Dichloromethane , Water ; 3 h, 30 °C

参考文献：

Synthesis and biological evaluation of substituted 1,2,3-benzotriazines and pyrido[3,2-d]-1,2,3-triazines as inhibitors of vascular endothelial growth factor receptor-2

Zhao, Xing-Wang; Liu, Dan; Luan, Sheng-Lin; Hu, Guo-Dong; Lv, Jin-Ling; et al, Bioorganic & Medicinal Chemistry, 2013, 21(24), 7807-7815

合成路线：1 步

93683-65-9

95095-84-4

反应条件：

1.1 Reagents: Iron , Hydrochloric acid Solvents: Methanol ; reflux

参考文献：

Preparation of pyrrolopyrimidines, furopyrimidines, pyridopyrimidines, and related compounds as inhibitors of dihydrofolate reductase and thymidylate synthase.

, United States, , ,

合成路线：1 步

93683-65-9

95095-84-4

反应条件：

1.1 Reagents: Iron , Hydrochloric acid Solvents: Methanol ; reflux

参考文献：

Pyrimidine derivatives, preparation, and therapeutic use

, United States, , ,

合成路线：1 步

95095-84-4

参考文献：

Pyrazole-containing derivative, pharmaceutically acceptable salt thereof, preparation method therefor and application thereof

, World Intellectual Property Organization, , ,

合成路线：1 步

95095-84-4

参考文献：

Preparation of pyrido[3,2-d]pyrimidines as immunosuppressive agents

, World Intellectual Property Organization, , ,

3-氨基-6-氯嘧啶-2-腈基(95095-84-4) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 3-Amino-6-chloropyridine-2-carbonitrile
Synonyms:

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 3-Amino-6-chloropyridine-2-carbonitrile
CAS number: 95095-84-4

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
    ?ushing of the eyes by separating the eyelids with ?ngers. 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 ?ghting measures
    In the event of a ?re 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 quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    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 speci?ed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C6H4ClN3
    Molecular weight:        153.6

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

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