(2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate | CAS No. 96034-64-9

(2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate

Basic Information

CAS Number

96034-64-9

Molecular Formula

C15H19N3O5S

Molecular Weight

353.39 g/mol

AD

Basic Physical Properties

Physical State

No data available

Melting Point

117.0 to 121.0 deg-C

Boiling Point

555.8°C at 760 mmHg

Density

1.36

Flash Point

289.9±30.1 °C

Refractive Index

1.611

Specific Rotation

+8.5 ° - +10.5 ° (c=1% w/v in Chloroform)

CN(C)C(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C15H19N3O5S/c1-16(2)14(19)13-7-12(24)8-17(13)15(20)23-9-10-3-5-11(6-4-10)18(21)22/h3-6,12-13,24H,7-9H2,1-2H3/t12-,13-/m0/s1

InChIKey

VGLBNJWGUYQZHD-STQMWFEESA-N

LogP

2.15340

Complexity

488

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (2S,4S)-4-Nitrobenzyl 2-(dimethylcarbamoyl)-4-mercaptopyrrolidine-1-carboxylate
  • side chain for meropenem
  • (2s,4s)-2-(dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine
  • (2s-cis)-2-[(dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl) methyl ester
  • (2S,4S)-2-( dimethylamino-carbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine
  • 2S-CIS
  • (2S-cis)-2-[(dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylic acid
  • (2S,4R)-2-carboxylic-4-hydroxy-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine
  • Intermaterial of the side for penem
  • Meropenem Side Chain
  • 4-Nitrobenzyl (2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylate
  • ((2S,4S)-4-Nitrobenzyl 2-(dimethylcarbamony)-4-mercaptopyrrolidine-1-carboxylate
  • Side chain for Meropenem(2S-CIS)
  • (2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)pyrrolidine
  • (2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester
  • (2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(4'-nitrobenzyloxycarbonyl)-1-pyrrolidine
  • (4-Nitrophenyl)methyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate
  • enzyl ester
  • VGLBNJWGUYQZHD-STQMWFE
  • (4-Nitrophenyl)methyl (2S,4S)-2-[(dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylate (ACI)
  • 1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-, (4-nitrophenyl)methyl ester, (2S-cis)- (ZCI)
  • (2S,4S)-2-Dimethylaminocarbonyl-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-pyrrolidine
  • (2S,4S)-N,N-Dimethyl-1-(4-nitrobenzyloxycarbonyl)-4-mercaptopyrrolidine-2-carboxamide
  • (2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine
  • (2S-cis)-2-[(Dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl) methyl ester
  • AKOS025395654
  • meropenem side chain
  • 4-Nitrobenzyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanyl-1-pyrrolidinecarboxylate, Antibiotic for Culture Media Use Only
  • AKOS015919512
  • 4-nitrobenzyl (2S,4S)-2-[(dimethylamino)carbonyl]-4- mercaptopyrrolidine-1-carboxylate
  • 96034-64-9

MDL Number

MFCD08063348

Customs Code

2933990090

FAQ

What is (2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate (CAS: 96034-64-9)?

This compound, with the CAS number 96034-64-9, is a synthetic organic molecule containing a pyrrolidine ring substituted with a 4-nitrobenzyl group and a dimethylcarbamoyl group. It also features a thiol (-SH) functional group, making it a versatile intermediate in pharmaceutical and chemical synthesis. Its molecular formula is C15H17N3O5S, and it is typically a solid at room temperature with moderate solubility in organic solvents.

What are the main uses of (2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate (CAS: 96034-64-9)?

This compound is primarily used as an intermediate in the synthesis of pharmaceuticals, particularly in the development of drugs targeting neurological or metabolic disorders. It also finds applications in organic chemistry research and industrial processes where functional group modifications are required. Its unique structure makes it valuable for creating bioactive molecules and derivatives with tailored properties.

Is (2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate (CAS: 96034-64-9) safe?

Safety of (2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate (CAS: 96034-64-9) depends on handling conditions. It is generally considered low toxicity when used in controlled environments, but standard laboratory safety protocols should be followed. Protective measures such as gloves, goggles, and proper ventilation are recommended to ensure safe handling and minimize exposure risks.

How should (2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate (CAS: 96034-64-9) be stored?

This compound should be stored in a cool, dry, and well-ventilated area, away from direct light. It is best kept in a sealed container at a temperature below 25°C to maintain stability. Humidity levels should be controlled to prevent hydrolysis, and it should be stored in a chemical-resistant container to avoid degradation. Proper storage ensures its integrity and prolongs its shelf life.

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