Tert-butyl hypobromite

Base Information

• Chemical Name: Tert-butyl hypobromite
• CAS No.: 1611-82-1
• Molecular Formula: C₄H₉BrO
• Molecular Weight: 153.019
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID40505847
• Nikkaji Number: J34.405B
• Wikidata: Q82361215
• Mol file: 1611-82-1.mol

Synonyms:TERT-BUTYL HYPOBROMITE;1611-82-1;Hypobromous acid tert-butyl ester;Hypobromous acid, 1,1-dimethylethyl ester;t-butyl hypobromite;SCHEMBL9323711;DTXSID40505847

Chemical Property of Tert-butyl hypobromite

Chemical Property:

• Boiling Point: 89.9±23.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.340±0.06 g/cm3(Predicted)
• LogP: 2.11140
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 151.98368
• Heavy Atom Count: 6
• Complexity: 37.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OBr

Technology Process of Tert-butyl hypobromite

There total 2 articles about Tert-butyl hypobromite 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:

tert-butyl alcohol (75-65-0) → tert-butyl hypobromite (1611-82-1)

Guidance literature:

With tetrachloromethane; water; hypobromous acid;

DOI:10.1039/jr9540001105

Reference yield:

→ tert-butyl hypobromite (1611-82-1)

Guidance literature:

t-BuOH, wss. HOBr, FCCl3 (Schuetteln);

DOI:10.1021/jo01056a002

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + tert-butyl hypobromite (1611-82-1) → (+/-)-1-[2-bromo-1-(tert-butoxy)ethyl]benzene (57951-57-2)

Guidance literature:

With Nitroethane; In tetrachloromethane; Further byproducts given;

DOI:10.1021/jo00869a055

upstream raw materials:

tert-butyl alcohol

Downstream raw materials:

2-bromocyclocyclohexanol

(+/-)-1-[2-bromo-1-(tert-butoxy)ethyl]benzene

erythro-1-tert-butoxy-1-phenyl-2-bromopropane

threo-1-tert-butoxy-1-phenyl-2-bromopropane

Refernces

• 1、 Dneprovskii, A. S.,Eliseenkow, E. V.,Kuznetsov, D. V.. "MECHANISMS OF FREE-RADICAL REACTIONS XXXI. FRRE-RADICAL HALOGENATION OF HEXANE BY TERT-BUTYL HYPOHALITES. REACTION MECHANISM AND SELECTIVITY OF TERT-BUTOXYL RADICAL". . p. 241 - 246. Retrieved 2007/10/02.