(4-Nitrophenyl)methyl 5-methyl-1,3-thiazole-4-carboxylate

Base Information

• Chemical Name: (4-Nitrophenyl)methyl 5-methyl-1,3-thiazole-4-carboxylate
• CAS No.: 68751-06-4
• Molecular Formula: C₁₂H₁₀N₂O₄S
• Molecular Weight: 278.288
• DSSTox Substance ID: DTXSID701218194

Synonyms:68751-06-4;DTXSID701218194;(4-Nitrophenyl)methyl 5-methyl-4-thiazolecarboxylate

Chemical Property of (4-Nitrophenyl)methyl 5-methyl-1,3-thiazole-4-carboxylate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 278.03612798
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(N=CS1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of (4-Nitrophenyl)methyl 5-methyl-1,3-thiazole-4-carboxylate

There total 13 articles about (4-Nitrophenyl)methyl 5-methyl-1,3-thiazole-4-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: 56.0%

[(2R,3S)-2-Acetylsulfanyl-4-oxo-3-(2-phenoxy-acetylamino)-azetidin-1-yl]-(triphenyl-λ5-phosphanylidene)-acetic acid 4-nitro-benzyl ester (64370-33-8,87068-95-9) → 2-Phenoxymethyl-4H-oxazol-5-one (87027-88-1) + p-nitrobenzyl 5-methylthiazole-4-carboxylate (68751-06-4) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

at 80 ℃; for 120h;

DOI:10.1016/S0040-4039(00)81966-8

Reference yield: 25.0%

(E)-2-{(2S,3S)-2-Chloro-3-methoxy-3-[2-(4-nitro-benzyloxycarbonyl)-2-phenyl-acetylamino]-4-oxo-azetidin-1-yl}-3-methanesulfonyloxy-but-2-enoic acid 4-nitro-benzyl ester (117509-22-5,117604-09-8) → p-nitrobenzyl 5-methylthiazole-4-carboxylate (68751-06-4) + p-nitrobenzyl (5R) 6S-methoxy-2-methyl-6-<α-(p-nitrobenzyloxycarbonyl)phenylacetamido>penem-3-carboxylate (117509-23-6,117509-24-7)

Guidance literature:

With hydrogen sulfide; triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide; at -20 ℃; for 0.5h; Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1139/v88-225

Reference yield:

[(2R)-2r-acetylsulfanyl-4-oxo-3c-(2-phenoxy-acetylamino)-azetidin-1-yl]-(triphenyl-λ5-phosphanylidene)-acetic acid 4-nitro-benzyl ester (64370-33-8) → p-nitrobenzyl 5-methylthiazole-4-carboxylate (68751-06-4)

Guidance literature:

In toluene; at 80 ℃;

DOI:10.1021/ja00494a032

upstream raw materials:

[(2R)-2r-acetylsulfanyl-4-oxo-3c-(2-phenoxy-acetylamino)-azetidin-1-yl]-(triphenyl-λ⁵-phosphanylidene)-acetic acid 4-nitro-benzyl ester

[(2R,3S)-2-Acetylsulfanyl-4-oxo-3-(2-phenoxy-acetylamino)-azetidin-1-yl]-(triphenyl-λ⁵-phosphanylidene)-acetic acid 4-nitro-benzyl ester

(E)-2-{(2S,3S)-2-Chloro-3-methoxy-3-[2-(4-nitro-benzyloxycarbonyl)-2-phenyl-acetylamino]-4-oxo-azetidin-1-yl}-3-methanesulfonyloxy-but-2-enoic acid 4-nitro-benzyl ester

sodium 5-methylthiazole-4-carboxylate

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