p-Bromobenzyl chloroformate

Base Information

• Chemical Name: p-Bromobenzyl chloroformate
• CAS No.: 5798-78-7
• Molecular Formula: C8H6BrClO2
• Molecular Weight: 249.491
• Hs Code.: 2915900090
• European Community (EC) Number: 845-350-2
• UNII: WOF21NRS5D
• DSSTox Substance ID: DTXSID80535249
• Wikidata: Q27292753
• Mol file: 5798-78-7.mol

Synonyms:p-Bromobenzyl chloroformate;5798-78-7;(4-bromophenyl)methyl chloroformate;(4-bromophenyl)methyl carbonochloridate;p-Bromocarbobenzoxy chloride;p-Bromobenzyl chloroformate [MI];WOF21NRS5D;Carbonochloridic acid, (4-bromophenyl)methyl ester;UNII-WOF21NRS5D;SCHEMBL4330946;DTXSID80535249;(4-bromophenyl)methylchloroformate;AKOS017548401;EN300-121103;F73558;Q27292753

Chemical Property of p-Bromobenzyl chloroformate

Chemical Property:

• Boiling Point: 288.3±23.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.627±0.06 g/cm3(Predicted)
• LogP: 3.32450
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 247.92397
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

PARA-BROMOBENZYL CHLOROFORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=O)Cl)Br
• Uses: In the preparation of amino acids and peptides.

Technology Process of p-Bromobenzyl chloroformate

There total 2 articles about p-Bromobenzyl chloroformate 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: 98.1%

phosgene (75-44-5) + 4-bromobenzenemethanol (873-75-6) → (4-bromophenyl)methyl carbonochloridate (5798-78-7)

Guidance literature:

In diethyl ether; 1) -10 deg C, 2) r.t., 2 h;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 4-bromobenzenemethanol (873-75-6) → (4-bromophenyl)methyl carbonochloridate (5798-78-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine;

DOI:10.1016/j.bmcl.2010.05.102

Reference yield: 80.0%

(4-bromophenyl)methyl carbonochloridate (5798-78-7) + 6-(tert-butyl)-8-chloro-2,3-dimethylquinolin-4-ol → 4-bromobenzyl (6-(tert-butyl)-8-chloro-2,3-dimethylquinolin-4-yl) carbonate

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃;

DOI:10.2174/1570180815666180313121735

upstream raw materials:

phosgene

4-bromobenzenemethanol

bis(trichloromethyl) carbonate

Downstream raw materials:

(p-bromobenzyloxycarbonyl)-L-Phe-OH

bis(p-bromobenzyl) peroxydicarbonate

2-Oxo-3-p-brombenzyloxycarbonyl-α-D-ribofurano<1',2':4,5>-oxazolidin

Z(4-Br)-DL-Phe

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