(4-Bromophenyl)methyl 4-nitrophenyl carbonate

Base Information

• Chemical Name: (4-Bromophenyl)methyl 4-nitrophenyl carbonate
• CAS No.: 38065-38-2
• Molecular Formula: C14H10BrNO5
• Molecular Weight: 352.141
• DSSTox Substance ID: DTXSID30566740
• Wikidata: Q82452494
• Mol file: 38065-38-2.mol

Synonyms:38065-38-2;(4-Bromophenyl)methyl 4-nitrophenyl carbonate;SCHEMBL6589465;DTXSID30566740

Chemical Property of (4-Bromophenyl)methyl 4-nitrophenyl carbonate

Chemical Property:

• Boiling Point: 488.2±45.0 °C(Predicted)
• PSA: 81.35000
• Density: 1.585±0.06 g/cm3(Predicted)
• LogP: 4.59610
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 350.97423
• Heavy Atom Count: 21
• Complexity: 357

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Br

Technology Process of (4-Bromophenyl)methyl 4-nitrophenyl carbonate

There total 1 articles about (4-Bromophenyl)methyl 4-nitrophenyl carbonate 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: 47.0%

4-bromobenzenemethanol (873-75-6) + 4-Nitrophenyl chloroformate (7693-46-1) → (4-bromophenyl)methyl 4-nitrophenyl carbonate (38065-38-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.3390/biom10030455

Reference yield:

L-proline methyl ester monohydrochloride (2133-40-6) + (4-bromophenyl)methyl 4-nitrophenyl carbonate (38065-38-2) → (S)-1-(4-bromobenzyl)2-methyl pyrrolidine-1,2-dicarboxylate (144332-74-1)

Guidance literature:

With 4-methyl-morpholine; In tetrahydrofuran;

Reference yield:

O-[2-(2-phenyl-4-oxazolyl)ethyl-L-tyrosine + (4-bromophenyl)methyl 4-nitrophenyl carbonate (38065-38-2) + methyl iodide (74-88-4) → O-[2-(2-Phenyl-4-oxazolyl)ethyl]-N-(4-bromobenzyloxycarbonyl)-L-tyrosine

Guidance literature:

With caesium carbonate; In ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

4-bromobenzenemethanol

4-Nitrophenyl chloroformate

Downstream raw materials:

(S)-1-(4-bromobenzyl)2-methyl pyrrolidine-1,2-dicarboxylate

pBrZ-L-Pro-OH

(S)-(3’-tert-butyl-[1,1’-biphenyl]-4-yl)methyl 2-(((S)-3-amino-1-cyano-3-oxopropyl)carbamoyl)-pyrrolidine-1-carboxylate

(S)-(4’-tert-butyl-[1,1’-biphenyl]-4-yl)methyl 2-(((S)-3-amino-1-cyano-3-oxopropyl)carbamoyl)-pyrrolidine-1-carboxylate