83922-54-7 (盐酸索他洛尔杂质C(EP) 标准品,N-(4-Formylphenyl)methanesulfonamide)

快速询单

结构式：

盐酸索他洛尔杂质C(EP) 标准品MOL文件

CAS号：

83922-54-7

中文名称：

盐酸索他洛尔杂质C(EP) 标准品

英文名称：

N-(4-Formylphenyl)methanesulfonamide

分子式：

C₈H₉NO₃S

分子量：

199.226960897446

盐酸索他洛尔杂质C(EP) 标准品(83922-54-7)名称与标识符

名称

中文别名：

4-甲磺酰氨基苯甲醛;4-甲磺酰胺基苯甲醛;N-(4-甲酰基苯基)甲烷磺酰胺;索他洛尔相关化合物 B;盐酸索他洛尔杂质C;盐酸索他洛尔杂质C(EP) 标准品;索他洛尔杂质;

英文别名：

N-(4-Formylphenyl)methanesulfonamide;4-(Methylsulfonamido)benzaldehyde;Methanesulfonamide, N-(4-formylphenyl)-;N-(4-Formylphenyl)methanesulfonamide (ACI);4-(Methylsulfonylamino)benzaldehyde;N-(4-Formylphenyl)methanesulphonamide;

标识符

MDL：

MFCD11052340

InChIKey：

DANYPOSRRWSVPY-UHFFFAOYSA-N

Inchi：

1S/C8H9NO3S/c1-13(11,12)9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3

SMILES：

O=CC1C=CC(NS(C)(=O)=O)=CC=1

盐酸索他洛尔杂质C(EP) 标准品(83922-54-7)物化性质

实验特性

LogP : 2.02440
PSA : 71.62000
闪点 : 170.8℃

计算特性

精确分子量 : 199.03000
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 3
重原子数量 : 13

盐酸索他洛尔杂质C(EP) 标准品(83922-54-7)安全信息

危险品运输编号： NONH for all modes of transport

盐酸索他洛尔杂质C(EP) 标准品(83922-54-7)推荐厂家更多厂家(18)

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上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单

盐酸索他洛尔杂质C(EP) 标准品(83922-54-7)合成路线

合成路线：1 步

3144-09-0

1122-91-4

_91%

83922-54-7

反应条件：

1.1 Reagents: Potassium carbonate Catalysts: Di-μ-chlorobis(η3-2-propenyl)dipalladium , Bis(1,1-dimethylethyl)[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphin… Solvents: 2-Methyltetrahydrofuran ; 5 - 15 min, rt; 24 h, 80 °C

参考文献：

Mild Pd-catalyzed N-arylation of methanesulfonamide and related nucleophiles: avoiding potentially genotoxic reagents and byproducts

Rosen, Brandon R.; et al, Organic Letters, 2011, 13(10), 2564-2567

合成路线：1 步

3144-09-0

1122-91-4

_70%

83922-54-7

参考文献：

Multicatalytic Approach to the Hydroaminomethylation of α-Olefins

Hanna, Steven ; et al, Angewandte Chemie, 2019, 58(11), 3368-3372

合成路线：1 步

556-18-3

124-63-0

_54%

83922-54-7

反应条件：

1.1 Reagents: Pyridine Solvents: Pyridine ; 3 h, 0 °C
1.2 Reagents: Hydrochloric acid Solvents: Water

参考文献：

New 3- and 4-hydroxyfuranones as anti-oxidants and anti-inflammatory agents

Weber, Valerie; et al, Bioorganic & Medicinal Chemistry, 2005, 13(14), 4552-4564

合成路线：1 步

19073-14-4

124-63-0

_42%

83922-54-7

反应条件：

1.1 Reagents: Pyridine Solvents: Dichloromethane ; rt → 0 °C; 30 min, 0 °C; 0 °C → rt
1.2 Reagents: Sodium hydroxide Solvents: Water
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 1

参考文献：

Synthesis of Biologically Active Amines via Rhodium-Bisphosphite-Catalyzed Hydroaminomethylation

Briggs, John R.; et al, Organic Letters, 2005, 7(22), 4795-4798

合成路线：1 步

50790-28-8

83922-54-7

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 4 h, 0 °C
1.2 Reagents: Water
1.3 Reagents: Manganese oxide (MnO2) Solvents: Chloroform ; overnight, reflux

参考文献：

Development of novel adenosine monophosphate-activated protein kinase activators

Guh, Jih-Hwa; et al, Journal of Medicinal Chemistry, 2010, 53(6), 2552-2561

合成路线：2 步

619-45-4

124-63-0

83922-54-7

反应条件：

1.1 Reagents: Pyridine Solvents: Dichloromethane ; rt
2.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 4 h, 0 °C
2.2 Reagents: Water
2.3 Reagents: Manganese oxide (MnO2) Solvents: Chloroform ; overnight, reflux

参考文献：

Development of novel adenosine monophosphate-activated protein kinase activators

Guh, Jih-Hwa; et al, Journal of Medicinal Chemistry, 2010, 53(6), 2552-2561

合成路线：2 步

2403-53-4

83922-54-7

反应条件：

1.1 Reagents: Hydrogen , Sulfuric acid magnesium salt (1:1) Catalysts: Platinum dioxide Solvents: Tetrahydrofuran ; 5 h, 70 psig, rt
2.1 Reagents: Pyridine Solvents: Dichloromethane ; rt → 0 °C; 30 min, 0 °C; 0 °C → rt
2.2 Reagents: Sodium hydroxide Solvents: Water
2.3 Reagents: Hydrochloric acid Solvents: Water ; pH 1

参考文献：

Synthesis of Biologically Active Amines via Rhodium-Bisphosphite-Catalyzed Hydroaminomethylation

Briggs, John R.; et al, Organic Letters, 2005, 7(22), 4795-4798

合成路线：3 步

555-16-8

107-21-1

83922-54-7

反应条件：

1.1 Catalysts: p-Toluenesulfonic acid Solvents: Toluene ; 1 h, reflux; reflux → rt
2.1 Reagents: Hydrogen , Sulfuric acid magnesium salt (1:1) Catalysts: Platinum dioxide Solvents: Tetrahydrofuran ; 5 h, 70 psig, rt
3.1 Reagents: Pyridine Solvents: Dichloromethane ; rt → 0 °C; 30 min, 0 °C; 0 °C → rt
3.2 Reagents: Sodium hydroxide Solvents: Water
3.3 Reagents: Hydrochloric acid Solvents: Water ; pH 1

参考文献：

Synthesis of Biologically Active Amines via Rhodium-Bisphosphite-Catalyzed Hydroaminomethylation

Briggs, John R.; et al, Organic Letters, 2005, 7(22), 4795-4798

盐酸索他洛尔杂质C(EP) 标准品(83922-54-7)上下游

对溴苯甲醛甲基磺酰氯 4-(1,3-二氧戊环-2-基)苯胺 2-(4-硝基苯基)-1,3-二氧戊环甲烷磺酰胺对硝基苯甲醛对氨基苯甲醛 n-[4-(羟基甲基)苯基]-甲烷磺酰胺

盐酸索他洛尔杂质C(EP) 标准品(83922-54-7) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 4-(Methylsulfonamido)benzaldehyde
Synonyms:

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

Section 3. Composition/information on ingredients.
Ingredient name: 4-(Methylsulfonamido)benzaldehyde
CAS number: 83922-54-7

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.
    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 speci?ed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C8H9NO3S
    Molecular weight:        199.2

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, 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