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

Base Information Edit

Chemical Name:(2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate
CAS No.:96034-64-9
Molecular Formula:C15H19N3O5S
Molecular Weight:353.399
Hs Code.:2933990090
DSSTox Substance ID:DTXSID20446628
Nikkaji Number:J985.572F
Wikidata:Q72507498
Mol file:96034-64-9.mol

Synonyms:96034-64-9;(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;(4-Nitrophenyl)methyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate;(2S,4S)-2-(DIMETHYLAMINOCARBONYL)-4-MERCAPTO-1-(P-NITROBENZYLOXYCARBONYL)PYRROLIDINE;2S CIS PNB(SIDE CHAIN);meropenem side chain;SCHEMBL336792;DTXSID20446628;(2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto -1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine;AMY33366;BCP22934;MFCD08063348;"2-Dimethylcarbamoyl-4-mercapto-pyrr;AKOS015919512;AKOS025395654;AC-5311;CS-W006146;(2S,4S)-2-(Dimethylaminocarblnyl)-4-mercapto-1-(4'-nitrobenzyloxycarbonyl)-1-pyrrolidine;(2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(4'-nitrobenzyloxycarbonyl)-1-pyrrolidine;(2S,4S)-4-Nitrobenzyl2-(dimethylcarbamoyl)-4-mercaptopyrrolidine-1-carboxylate;AS-13574;N0828;A845535;Q-101434;(4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercapto-N,N-dimethyl-L-prolinamide;(2S,4S)-1-(p-nitrobenzyloxycarbonyl)-2-dimethylcarbamoyl-4-mercaptopyrrolidine;(2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(pnitrobenzyloxycarbonyl)-1-pyrrolidine;(2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester;(2S,4S)-2-dimethylcarbamoyl-1-(4-nitrobenzyloxycarbonyl)-4-mercaptopyrrolidine;(2S,4S)-dimethylcarbamoyl-1-(4-nitrobenzyloxycarbonyl)-4-mercaptopyrrolidine;(4-nitrophenyl)methyl 2-(dimethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate;4-Nitrobenzyl (2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylate;4-nitrobenzyl (2S,4S)-2-[(dimethylamino)carbonyl]-4- mercaptopyrrolidine-1-carboxylate;4-Nitrobenzyl (2S,4S)-2-[(dimethylamino)carbonyl]-4-mercaptopyrrolidine-1-carboxylate;(2S,4S)-2-Dimethylcarbamoyl-4-Mercapto-Pyrrolidine-1-Carboxylic Acid 4-Nitro-Benzyl Ester;1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-,(4-nitrophenyl)methyl ester, (2S,4S)-;4-Nitrobenzyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanyl-1-pyrrolidinecarboxylate, Antibiotic for Culture Media Use Only

Suppliers and Price of (2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine
250mg
$ 55.00

TCI Chemical
4-Nitrobenzyl (2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylate >95.0%(HPLC)(T)
1g
$ 181.00

TCI Chemical
4-Nitrobenzyl (2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylate >95.0%(HPLC)(T)
5g
$ 626.00

Medical Isotopes, Inc.
MeropenemSodiumSalt
50 mg
$ 2000.00

Crysdot
(2S,4S)-4-Nitrobenzyl2-(dimethylcarbamoyl)-4-mercaptopyrrolidine-1-carboxylate 98%
10g
$ 468.00

Crysdot
(2S,4S)-4-Nitrobenzyl2-(dimethylcarbamoyl)-4-mercaptopyrrolidine-1-carboxylate 98%
1g
$ 104.00

Crysdot
(2S,4S)-4-Nitrobenzyl2-(dimethylcarbamoyl)-4-mercaptopyrrolidine-1-carboxylate 98%
5g
$ 312.00

Chemenu
(2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)pyrrolidine 95+%
5g
$ 295.00

Chemenu
(2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)pyrrolidine 95+%
1g
$ 107.00

Chemenu
(2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)pyrrolidine 95+%
10g
$ 442.00

Total 173 raw suppliers

Chemical Property of (2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate Edit

Chemical Property:

Appearance/Colour:White crystalline solid
Vapor Pressure:2.17E-12mmHg at 25°C
Melting Point:117.0 to 121.0 °C
Refractive Index:1.611
Boiling Point:555.8 °C at 760 mmHg
PKA:9.94±0.40(Predicted)
Flash Point:289.9 °C
PSA：134.47000
Density:1.36 g/cm³
LogP:2.15340
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
Solubility.:DMSO (Slightly), Methanol (Slightly), Water (Slightly)
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:353.10454189
Heavy Atom Count:24
Complexity:488

Purity/Quality:

99% ^*data from raw suppliers

(2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)C(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S
Isomeric SMILES:CN(C)C(=O)[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S
Uses Carbapenem antibiotic. Antibacterial An intermediate used for the synthesis of Meropenem. Side chain for meropenem

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

There total 11 articles about (2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.3%

: 127966-47-6
(2S,4S)-1-p-nitrobenzyloxycarbonyl-2-carboxy-4-mercaptopyrrolidine

: 506-59-2
N,N-dimethylammonium chloride

: 96034-64-9
(2S,4S)-1-p-nitrobenzyloxycarbonyl-2-dimethylaminocarbonyl-4-thiolpyrrolidine

Guidance literature:: (2S,4S)-1-p-nitrobenzyloxycarbonyl-2-carboxy-4-mercaptopyrrolidine; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 5 ℃; for 0.166667h;

N,N-dimethylammonium chloride; In N,N-dimethyl-formamide; at 0 - 5 ℃; for 3h; Concentration;