N-Boc-N,N-bis(2-bromoethyl)amine

Base Information

• Chemical Name: N-Boc-N,N-bis(2-bromoethyl)amine
• CAS No.: 159635-50-4
• Molecular Formula: C₉H₁₇Br₂NO₂
• Molecular Weight: 331.047
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID50597556
• Wikidata: Q82493146
• Mol file: 159635-50-4.mol

Synonyms:N-Boc-N,N-bis(2-bromoethyl)amine;159635-50-4;tert-butyl bis(2-bromoethyl)carbamate;tert-butyl N,N-bis(2-bromoethyl)carbamate;C9H17Br2NO2;N-Boc-N, N-bis(2-bromoethyl)amine;Carbamic acid, bis(2-bromoethyl)-, 1,1-dimethylethyl ester;SCHEMBL1912721;DTXSID50597556;tert-butylbis(2-bromoethyl)carbamate;MFCD11519276;AKOS015920157;AM84526;AS-18133;DB-064296;A3530;CS-0018953;F30076;Carbamic acid, N,N-bis(2-bromoethyl)-, 1,1-dimethylethyl ester

Chemical Property of N-Boc-N,N-bis(2-bromoethyl)amine

Chemical Property:

• Vapor Pressure: 0.000378mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 317.7 °C at 760 mmHg
• PKA: -1.80±0.70(Predicted)
• Flash Point: 146 °C
• PSA: 29.54000
• Density: 1.545 g/cm³
• LogP: 3.01330
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 330.96055
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-N,N-bis(2-bromoethyl)amine ^*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(CCBr)CCBr

Technology Process of N-Boc-N,N-bis(2-bromoethyl)amine

There total 2 articles about N-Boc-N,N-bis(2-bromoethyl)amine 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-butoxycarbonyl)imino]diethane-2,1-diyl dimethanesulfonate (401518-11-4) → Bis-(2-bromo-ethyl)-carbamic acid tert-butyl ester (159635-50-4)

Guidance literature:

With lithium bromide; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmcl.2009.11.043

Reference yield:

bis(2-bromoethyl)amine (3890-99-1) + di-tert-butyl dicarbonate (24424-99-5) → Bis-(2-bromo-ethyl)-carbamic acid tert-butyl ester (159635-50-4)

Guidance literature:

With triethylamine;

DOI:10.1016/S0960-894X(97)10199-8

Reference yield: 30.0%

inden-1-one (83-33-0) + Bis-(2-bromo-ethyl)-carbamic acid tert-butyl ester (159635-50-4) → tert-butyl 1-oxo-1,3-dihydrospiro[indene-2,4’-piperidine]-1’-carboxylate (1228079-29-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1016/j.bmcl.2009.11.043

upstream raw materials:

bis(2-bromoethyl)amine

di-tert-butyl dicarbonate

[(tert-butoxycarbonyl)imino]diethane-2,1-diyl dimethanesulfonate

Downstream raw materials:

tert-butyl 1-oxo-1,3-dihydrospiro[indene-2,4’-piperidine]-1’-carboxylate

1-tert-butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate

1-tert-butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate

4-{[4-(2-methyl-quinolin-4-ylmethoxy)-benzoylamino]-methyl}-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester