(R)-4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)-piperazine-2-carboxylic acid

Base Information

• Chemical Name: (R)-4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)-piperazine-2-carboxylic acid
• CAS No.: 276695-10-4
• Molecular Formula: C₁₉H₁₇Cl₂N₃O₆
• Molecular Weight: 454.266
• DSSTox Substance ID: DTXSID301133764

Synonyms:SCHEMBL5872558;ATZQOIXBOKQMNQ-QGZVFWFLSA-N;DTXSID301133764;(R)-4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)-piperazine-2-carboxylic acid;276695-10-4;1-(Phenylmethyl) (3R)-4-(4,5-dichloro-2-nitrophenyl)-1,3-piperazinedicarboxylate

Chemical Property of (R)-4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)-piperazine-2-carboxylic acid

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 453.0494407
• Heavy Atom Count: 30
• Complexity: 642

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)C3=CC(=C(C=C3[N+](=O)[O-])Cl)Cl
• Isomeric SMILES: C1CN([C@H](CN1C(=O)OCC2=CC=CC=C2)C(=O)O)C3=CC(=C(C=C3[N+](=O)[O-])Cl)Cl

Technology Process of (R)-4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)-piperazine-2-carboxylic acid

There total 2 articles about (R)-4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)-piperazine-2-carboxylic acid 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:

(R)-4-carbobenzyloxypiperazine-2-carboxylic acid (276695-09-1) → (R)-4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)-piperazine-2-carboxylic acid (276695-10-4)

Guidance literature:

With triethylamine; In dimethyl sulfoxide; at 60 ℃;

DOI:10.1016/S0960-894X(00)00400-5

Reference yield:

→ (R)-4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)-piperazine-2-carboxylic acid (276695-10-4)

Guidance literature:

Reference yield:

(R)-4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)-piperazine-2-carboxylic acid (276695-10-4) → 8,9-dichloro-5-oxo-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinoxaline-3-carboxylic acid benzyl ester (276695-11-5)

Guidance literature:

With iron; acetic acid; at 60 ℃;

DOI:10.1016/S0960-894X(00)00400-5

upstream raw materials:

(R)-4-carbobenzyloxypiperazine-2-carboxylic acid

Downstream raw materials:

8,9-dichloro-5-oxo-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinoxaline-3-carboxylic acid benzyl ester

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