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82632-77-7 (4-(4-氯苯基)-5-甲基噻唑-2-胺,4-(4-Chlorophenyl)-5-methyl-1,3-thiazol-2-amine)

结构式：

4-(4-氯苯基)-5-甲基噻唑-2-胺结构式图片|82632-77-7结构式图片

4-(4-氯苯基)-5-甲基噻唑-2-胺MOL文件

CAS号：

82632-77-7

中文名称：

4-(4-氯苯基)-5-甲基噻唑-2-胺

英文名称：

4-(4-Chlorophenyl)-5-methyl-1,3-thiazol-2-amine

安全信息：

分子式：

C₁₀H₉ClN₂S

分子量：

224.709859609604

相关分类：

溶剂及有机化学品 > 有机化合物 > Organoheterocyclic compounds > Azoles > Thiazoles > 2,4,5-trisubstituted thiazoles

溶剂及有机化学品 > 有机化合物 > Organoheterocyclic compounds > Azoles > 2,4,5-trisubstituted thiazoles

4-(4-氯苯基)-5-甲基噻唑-2-胺(82632-77-7)名称与标识符

名称

中文别名：

2-氨基-4-(4-氯苯基)-5-甲基噻唑;4-(4-氯苯基)-5-甲基-噻唑-2-胺;4-(4-氯苯基)-5-甲基噻唑-2-胺;

英文别名：

4-(4-Chlorophenyl)-5-methylthiazol-2-amine;2-Amino-4-(4-chlorophenyl)-5-methylthiazole;4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-amine;4-(4-CHLORO-PHENYL)-5-METHYL-THIAZOL-2-YLAMINE;2-amino-4-(p-chlorophenyl)-5-methylthiazole;2-Amino-5-methyl-4-<4-chlor-phenyl>-thiazol;4-(4-chlorophenyl)-5-methyl-1,3-thiazole-2-amine;F0020-1340;[4-(4-Chlorophenyl)-5-methylthiazol-2-yl]amine;Oprea1_727692;IEJGVSUOFMBPJU-UHFFFAOYSA-N;HMS3428N06;KM2128;BBL001794;STK409626;VZ27774;AB00569;4-(4-Chlorophenyl)-5-methyl-2-thiazolamine (ACI);Thiazole, 2-amino-4-(p-chlorophenyl)-5-methyl- (6CI);4-(4-Chlorophenyl)-5-methylthiazol-2-amine, AldrichCPR;EN300-08655;CHEMBL172325;ALBB-001831;82632-77-7;4-(4-chlorophenyl)-5-methylthiazol-2 amine;DTXSID10349856;MFCD00731832;4-(4-chloro-phenyl)-5-methyl-thiazol-2-ylamine, AldrichCPR;DB-056642;A3066;4-(4-chlorophenyl)-5-methyl-thiazol-2-ylamine;4-(4-chloropheny)-5-methylthiazol-2-ylamine;SCHEMBL1802030;AKOS000116890;Z48847688;AKOS003627968;CS-0153478;MS-11004;SY101292;BDBM625954;

标识符

MDL：

MFCD00731832

InChIKey：

IEJGVSUOFMBPJU-UHFFFAOYSA-N

Inchi：

1S/C10H9ClN2S/c1-6-9(13-10(12)14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13)

SMILES：

ClC1C=CC(C2=C(C)SC(N)=N2)=CC=1

4-(4-氯苯基)-5-甲基噻唑-2-胺(82632-77-7)物化性质

实验特性

LogP : 3.93530
PSA : 67.15000
折射率 : 1.65
沸点 : 376.6°C at 760 mmHg
熔点 : 145.0 to 148.0 deg-C
闪点 : 181.6°C
溶解度 : 几乎不溶 (0.027 g/L) (25 ºC),
密度 : 1.338±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 224.01700
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 224.017497
重原子数量 : 14
复杂度 : 195
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.3
拓扑分子极性表面积 : 67.2

4-(4-氯苯基)-5-甲基噻唑-2-胺(82632-77-7)安全信息

符号： GHS07
安全说明： 26-39
危险品标志： Xi
危害声明：H315-H319
警示性声明：P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
提示语：警告
储存条件： storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
危险类别码： 22-37/38-41
信号词： warning
HazardClass： IRRITANT

4-(4-氯苯基)-5-甲基噻唑-2-胺(82632-77-7)推荐厂家更多厂家(14)

公司名称	手机号/电话	联系人	QQ	微信	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226		询单
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南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482		询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136		询单
上海甄准生物科技有限公司	13816009161 021-68920155	姜经理13816009161	3001086693		询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232		询单
江苏倍达医药科技有限公司	18994340901 0512-63009836	贺慧	540534176		询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982		询单
梯希爱（上海）化成工业发展有限公司	13061970904	张泽原	862682778		询单
上海阿拉丁生化科技股份有限公司	13167063860 13167063860	阿拉丁	3004013043		询单

4-(4-氯苯基)-5-甲基噻唑-2-胺(82632-77-7)合成路线

合成路线：1 步

_92%

反应条件：

1.1 Reagents: N-Bromosuccinimide Catalysts: Citric acid Solvents: Ethanol , Water ; 20 min, reflux
1.2 1 - 2 min, reflux

参考文献：

Citric Acid-catalyzed Synthesis of 2,4-Disubstituted Thiazoles from Ketones via C-Br, C-S, and C-N Bond Formations in One Pot: A Green Approach

Gundala, Trivikram Reddy; et al, Journal of the Chinese Chemical Society (Weinheim, 2017, 64(12), 1408-1416

合成路线：1 步

_91%

反应条件：

1.1 Reagents: N,N-Dibromo-4-methylbenzenesulfonamide Solvents: Methanol ; 3 h, 70 °C

参考文献：

TsNBr2 promoted cascade formation of C-N and C-S bond: Metal-free synthesis of 2-aminothiazoles from ketones or ketoximes using thiourea

Loukrakpam, Dineshwori Chanu; et al, Tetrahedron, 2023, 149,

合成路线：1 步

_99%

反应条件：

1.1 Catalysts: 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Solvents: Tetrahydrofuran ; 18 h, 60 °C

参考文献：

Parallel solution-phase synthesis of a 2-aminothiazole library including fully automated work-up

Buchstaller, Hans-Peter; et al, Combinatorial Chemistry & High Throughput Screening, 2011, 14(2), 104-108

合成路线：1 步

_95%

反应条件：

1.1 Solvents: Ethanol ; 2 - 24 h, reflux

参考文献：

Synthesis and biological evaluation of novel thiazole- VX-809 hybrid derivatives as F508del correctors by QSAR-based filtering tools

Liessi, Nara; et al, European Journal of Medicinal Chemistry, 2018, 144, 179-200

合成路线：1 步

_94%

反应条件：

1.1 Solvents: Tetrahydrofuran

参考文献：

Clean synthesis of α-bromo ketones and their utilisation in the synthesis of 2-alkoxy-2,3-dihydro-2-aryl-1,4-benzodioxanes, 2-amino-4-aryl-1,3-thiazoles and piperidino-2-amino-1,3-thiazoles using polymer-supported reagents

Habermann, Joerg; et al, Journal of the Chemical Society, 1999, (17), 2425-2427

合成路线：1 步

_74%

反应条件：

1.1 Reagents: Ammonium acetate Solvents: Benzene ; 6 h, 80 °C

参考文献：

One pot synthesis using supported reagents system KSCN/SiO2-RNH3OAc/Al2O3: synthesis of 2-aminothiazoles and N-allylthioureas

Aoyama, Tadashi; et al, Tetrahedron, 2006, 62(14), 3201-3213

合成路线：2 步

反应条件：

1.1 Reagents: N-Bromosuccinimide Catalysts: Trimethylsilyl triflate Solvents: Acetonitrile ; 3 - 24 h, 40 °C
2.1 Solvents: Ethanol ; 2 - 24 h, reflux

参考文献：

Synthesis and biological evaluation of novel thiazole- VX-809 hybrid derivatives as F508del correctors by QSAR-based filtering tools

Liessi, Nara; et al, European Journal of Medicinal Chemistry, 2018, 144, 179-200

4-(4-氯苯基)-5-甲基噻唑-2-胺(82632-77-7)上下游

对氯苯甲醛硫氰酸钾对氯苯丙酮 2-溴-1-(4-氯苯基)丙烷-1-酮

4-(4-氯苯基)-5-甲基噻唑-2-胺(82632-77-7)参考资料

Reaxys RN：

977918

PubChem CID：

4-(4-氯苯基)-5-甲基噻唑-2-胺(82632-77-7) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 4-(4-Chloro-phenyl)-5-methyl-thiazol-2-ylamine
Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed
    H315:        Causes skin irritation
    H318:        Causes serious eye damage
    H335:        May cause respiratory irritation
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray
    P280:        Wear protective gloves/protective clothing/eye protection/face protection
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing

Section 3. Composition/information on ingredients.
Ingredient name: 4-(4-Chloro-phenyl)-5-methyl-thiazol-2-ylamine
CAS number: 82632-77-7

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.
    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 speci?ed
    Appearance:
    Boiling point:        No data
    Melting point:        No data
    Flash point:        No data
    Density:        No data
    Molecular formula:        C10H9ClN2S
    Molecular weight:        224.7

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, 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

目录

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相关产品

4-(4-氯苯基)-5-甲基噻唑-2-胺

相关产品厂家

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问答

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