3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide | CAS No. 1379686-29-9

3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide

Basic Information

CAS Number

1379686-29-9

Molecular Formula

C23H31ClN4O3S

Molecular Weight

479.04 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (1.8E-4 g/L) (25 ºC),

CCCCCNC(=O)N1CCC(C1)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl

InChI

InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)

InChIKey

PPUYOYQTTWJTIU-UHFFFAOYSA-N

Complexity

600

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • SR9011
  • SR9001
  • 3-[[[(4-Chlorophenyl)methyl][(5-nitro-2-thienyl)methyl]amino]methyl]-N-pentyl-1-pyrrolidinecarboxamide
  • GTPL8900
  • BDBM50366239
  • SR 9011
  • SB19005
  • AK547296
  • 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]-N-pentylpyrrolidine-1-carboxamide
  • 1-Pyrrolidinecarboxamide, 3-((((4-chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-n-pentyl-

MDL Number

MFCD29472235

FAQ

What are the physical and chemical properties of 3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide (CAS: 1379686-29-9)?

3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide is a solid with a crystalline form. Its molecular weight is approximately 516.28 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane. This compound exhibits moderate reactivity, particularly towards nucleophiles and reducing agents.

How is 3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide (CAS: 1379686-29-9) typically synthesized?

3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide is typically synthesized via multistep reactions involving the coupling of a dimethyl pyrrolidine carboxamide with a benzylamine derivative and a nitrothiophene. Commonly, this involves the use of a coupling agent like HATU, with the reaction being carried out in anhydrous conditions to ensure high yield and selectivity.

What industries use 3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide (CAS: 1379686-29-9)?

3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide is used in the pharmaceutical industry for its potential therapeutic applications. It may also find use in research and development of new materials, particularly in the areas of polymer and sensor technologies.

What precautions should be taken when handling 3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide (CAS: 1379686-29-9)?

When handling 3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide, it is crucial to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines.

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