tert-Butyl N-(2-bromoethyl)carbamate

Base Information

• Chemical Name: tert-Butyl N-(2-bromoethyl)carbamate
• CAS No.: 39684-80-5
• Molecular Formula: C7H14BrNO2
• Molecular Weight: 224.098
• Hs Code.: 29241990
• European Community (EC) Number: 674-928-5
• DSSTox Substance ID: DTXSID10399356
• Nikkaji Number: J786.622D
• Wikidata: Q72502489
• Mol file: 39684-80-5.mol

Synonyms:39684-80-5;tert-Butyl N-(2-bromoethyl)carbamate;tert-Butyl (2-bromoethyl)carbamate;2-(Boc-amino)ethyl bromide;n-boc-bromoethylamine;(2-bromo-ethyl)-carbamic acid tert-butyl ester;tert-butyl 2-bromoethylcarbamate;N-Boc-2-bromoethylamine;2-(Boc-amino)-ethyl bromide;n-t-boc-2-bromoethylamine;2-(tert-Butoxycarbonylamino)ethyl Bromide;N-t-Boc-2-bromoethylamine-d4;boc-1-amino-2-bromoethane;2-(boc-amino) ethyl bromide;tert-butyl-2-bromoethylcarbamate;tert-butyl(2-bromoethyl)carbamate;MFCD02683428;Carbamic acid, (2-bromoethyl)-, 1,1-dimethylethyl ester;1250986-06-1;(2-bromoethyl)carbamic acid tert-butyl ester;boc-2-aminoethylbromide;N-Boc-bromoethylamne;BocNHCH2CH2Br;Br(CH2)2NHBoc;n-t-boc-2-bromethanamine;n-t-boc-2-bromoethanamine;2-(Bocamino)ethyl bromide;2-(boc-amino) ethylbromide;2-(Boc-amino)-ethylbromide;SCHEMBL24625;t-butyl 2-bromoethylcarbamate;t-butyl-2-bromoethylcarbamate;(N-Boc)-2-aminoethylbromide;n-(t-boc)-2-bromoethylamine;t-butyl(2-bromoethyl)carbamate;t-butyl (2-bromoethyl)carbamate;DTXSID10399356;tert-butyl 2-bromoethyl-carbamate;TZRQZPMQUXEZMC-UHFFFAOYSA-N;2-t-Butoxycarbonylaminoethylbromide;tert-butyl(2-bromo-ethyl)carbamate;tert-butyl(2-bromoethyl)-carbamate;tert-butyl-(2-bromoethyl)carbamate;N-Carbo-t-butoxy-2-bromoethylamine;N-t-butoxycarbonyl-2-bromoethylamine;tert-butyl (2-bromo-ethyl)carbamate;tert-butyl (2-bromoethyl)-carbamate;BBL103203;STL557013;2-tert-butoxycarbonylaminoethylbromide;2-(t-butoxycarbonylamino)ethyl bromide;2-tert-butoxycarbonylaminoethyl bromide;AKOS015838179;CS-W007731;GS-3261;N-(t-butoxycarbonyl)-2-bromoethylamine;n-tert-butoxycarbonyl-2-bromoethanamine;n-tert-butoxycarbonyl-2-bromoethylamine;SB37017;2-bromo-N-(t-butoxycarbonyl)-ethylamine;AC-29263;BP-21166;N-(tert-butoxycarbonyl)-2-bromoethylamine;N-tert-butoxycarbonyl-amino-2-bromoethane;1,1-dimethylethyl (2-bromoethyl)carbamate;2-(tert-butoxycarbonylamino)-ethyl bromide;2-bromoethylcarbamic acid tert-butyl ester;2-[N-(t-butoxycarbonyl)amino]ethyl bromide;N-(tert.-butoxycarbonyl)-2-bromoethylamine;1,1-Dimethylethyl (2-bromoethyl)-carbamate;A6627;AM20100045;B2289;FT-0629322;(2-Bromo-ethyl)carbamic acid tert-butyl ester;(2-bromoethyl)-carbamic acid tert-butyl ester;2-bromo-1-[(tert-butoxycarbonyl)amino]ethane;EN300-64250;2-(Boc-amino)ethyl bromide, >=97.0% (GC);N-(2-Bromoethyl)carbamic Acid tert-Butyl Ester;J-523512;2-[(1,1-dimethylethoxycarbonyl)-amino]ethyl bromide;N-t-Boc-2-bromoethylamine (Technical grade, ~90%);N-(2-bromoethyl)carbamic Acid 1,1-Dimethylethyl Ester;N-t-Boc-2-bromoethylamine (Technical grade, ~90per cent)

Chemical Property of tert-Butyl N-(2-bromoethyl)carbamate

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 0.011mmHg at 25°C
• Melting Point: 30-32 °C(lit.)
• Refractive Index: 1.473
• Boiling Point: 262.288 °C at 760 mmHg
• PKA: 11.76±0.46(Predicted)
• Flash Point: 112.428 °C
• PSA: 38.33000
• Density: 1.321 g/cm³
• LogP: 2.29690
• Storage Temp.: −20°C
• Solubility.: Soluble in Chloroform, Dichloromethane and Ethyl Acetate.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 223.02079
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

98%,99%, ^*data from raw suppliers

tert-butyl N-[ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCBr
• Uses: Building block for preparing fluorinated spacers having nucleophilic and electrophilic termini N-t-Boc-2-bromoethylamine is a building block for preparing fluorinated spacers having nucleophilic and electrophilic termini.

Technology Process of tert-Butyl N-(2-bromoethyl)carbamate

There total 22 articles about tert-Butyl N-(2-bromoethyl)carbamate 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-bromoethylamine hydrobromide (2576-47-8) → 2-(tert-butoxycarbonylamino)ethyl bromide (39684-80-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 18h;

DOI:10.1021/ol500210z

Reference yield: 99.0%

2-bromoethylamine (107-09-5) + di-tert-butyl dicarbonate (24424-99-5) → 2-(tert-butoxycarbonylamino)ethyl bromide (39684-80-5)

Guidance literature:

In tetrahydrofuran; for 2h;

DOI:10.1002/ejoc.201500997

Reference yield: 99.0%

2-(N-tert-butoxycarbonylamino)ethanol (26690-80-2) → 2-(tert-butoxycarbonylamino)ethyl bromide (39684-80-5)

Guidance literature:

2-(N-tert-butoxycarbonylamino)ethanol; With methanesulfonyl chloride; triethylamine; In dichloromethane; for 0.75h;

With lithium bromide; In acetone; for 24h;

DOI:10.1039/d1ob00697e

upstream raw materials:

di-tert-butyl dicarbonate

2-bromoethylamine hydrobromide

2-(N-tert-butoxycarbonylamino)ethanol

2-bromoethylamine

Downstream raw materials:

2-iodo-1-<(tert-butyloxycarbonyl)amino>ethane

tert-butyl 2-{3-[3-(3,4-dimethoxyphenyl)propane]phenoxy}ethylcarbamate

tert-butyl (2-((4-bromophenyl)thio)ethyl)carbamate

N-(tert-butoxycarbonyl)-2-(acetylthio)ethylamine

Refernces

• 1、 Freire, David M.,Green, Kayla N.,Kálmán, Ferenc Krisztián,Molnár, Enik?,Pota, Kristof,Tircsó, Gyula. "Manganese Complex of a Rigidified 15-Membered Macrocycle: A Comprehensive Study". . . Retrieved 2020.
• 2、 Alumasa, John N.,Goralski, Tyler D. P.,Keiler, Kenneth C.. "Tetrazole-based trans-translation inhibitors kill Bacillus anthracis spores to protect host cells". . . Retrieved 2017.
• 3、 Joshi, Saurabh,Mahadevan, Gomathi,Verma, Sandeep,Valiyaveettil, Suresh. "Bioinspired adenine-dopamine immobilized polymer hydrogel adhesives for tissue engineering". . p. 11303 - 11306. Retrieved 2020.
• 4、 Yuan, Dan,Du, Xuewen,Shi, Junfeng,Zhou, Ning,Baoum, Abdulgader Ahmed,Xu, Bing. "Synthesis of novel conjugates of a saccharide, amino acids,nucleobase and the evaluation of their cell compatibility". . p. 2406 - 2413. Retrieved 2014.
• 5、 Srivastava, Pooja,Tiwari, Anjani K.,Chadha, Nidhi,Chuttani, Krishna,Mishra, Anil K.. "Synthesis and biological evaluation of newly designed phosphonate based bone-seeking agent". . p. 12 - 20. Retrieved 2013.
• 6、 Tilden, James A. R.,Lubben, Anneke T.,Reeksting, Shaun B.,Kociok-K?hn, Gabriele,Frost, Christopher G.. "Pd(II)-Mediated C?H Activation for Cysteine Bioconjugation". supporting information. . Retrieved 2022/01/19.
• 7、 -. "Pyrimidine ring-containing substituted five-membered heterocyclic compound as well as preparation method and application thereof". Paragraph 0342-0345. . Retrieved 2021/02/06.