Bis(1,1-dimethylethyl)(3-bromopropyl) imidodicarbonate

Base Information

Chemical Name:Bis(1,1-dimethylethyl)(3-bromopropyl) imidodicarbonate
CAS No.:172846-33-2
Molecular Formula:C13H24BrNO4
Molecular Weight:338.242
Hs Code.:
DSSTox Substance ID:DTXSID30442590
Wikidata:Q82259950
Mol file:172846-33-2.mol

Synonyms:172846-33-2;BIS(1,1-DIMETHYLETHYL)(3-BROMOPROPYL) IMIDODICARBONATE;Tert-butyl N-(3-bromopropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;Di(tert-butyl) 3-bromopropylimidodicarbonate;Di-tert-butyl (3-bromopropyl)-2-imidodicarbonate;AB3113;SCHEMBL3882477;DTXSID30442590;XGA84633;MFCD09953022;AS-44686;Di(tert-butyl)3-bromopropylimidodicarbonate;CS-0197725;1,3-BIs(1,1-dimethylethyl) 2-(3-bromopropyl)imidodicarbonate;Bis(1,1-dimethylethyl)(3-bromopropyl) imidodicarbonate, 95%

Suppliers and Price of Bis(1,1-dimethylethyl)(3-bromopropyl) imidodicarbonate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Di(tert-butyl)3-bromopropylimidodicarbonate 97%
1g
$ 451.00

Crysdot
Di(tert-butyl)3-bromopropylimidodicarbonate 97%
5g
$ 1580.00

American Custom Chemicals Corporation
BIS-(1,1-DIMETHYLETHYL)-(3-BROMOPROPYL)IMIDODICARBONATE 95.00%
5MG
$ 498.26

Total 3 raw suppliers

Chemical Property of Bis(1,1-dimethylethyl)(3-bromopropyl) imidodicarbonate

Chemical Property:

PSA：55.84000
LogP:3.94360
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:337.08887
Heavy Atom Count:19
Complexity:290

Purity/Quality:

99% ^*data from raw suppliers

Di(tert-butyl)3-bromopropylimidodicarbonate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N(CCCBr)C(=O)OC(C)(C)C

Technology Process of Bis(1,1-dimethylethyl)(3-bromopropyl) imidodicarbonate

There total 2 articles about Bis(1,1-dimethylethyl)(3-bromopropyl) imidodicarbonate 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: 79.0%

: 51779-32-9
iminodicarboxylic acid di-tert-butyl ester

: 109-64-8
1,3-dibromo-propane

: 172846-33-2
tert-butyl N-(3-bromopropyl)-N-tert-butoxycarbonyl-carbamate

Guidance literature:: iminodicarboxylic acid di-tert-butyl ester; With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

1,3-dibromo-propane; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.0c02072

Reference yield: 79.0%

: 172846-33-2
tert-butyl N-(3-bromopropyl)-N-tert-butoxycarbonyl-carbamate

Guidance literature:: With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

In N,N-dimethyl-formamide; at 20 ℃; for 24h;

Reference yield: 76.0%

: 3-chloro-10-(4-methoxybenzyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

: 172846-33-2
tert-butyl N-(3-bromopropyl)-N-tert-butoxycarbonyl-carbamate

: di-tert-butyl {3-[3-chloro-10-(4-methoxybenzyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl]propyl}imidodicarbonate

Guidance literature:: 3-chloro-10-(4-methoxybenzyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 1h;

tert-butyl N-(3-bromopropyl)-N-tert-butoxycarbonyl-carbamate; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 2h;