Tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate
• CAS No.: 112257-12-2
• Molecular Formula: C11H19BrN2O3
• Molecular Weight: 307.187
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40578677
• Wikidata: Q72502450
• Mol file: 112257-12-2.mol

Synonyms:112257-12-2;tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate;tert-butyl 4-(bromoacetyl)-1-piperazinecarboxylate;tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylate;4-(Bromoacetyl)-1-Boc-piperazine;MFCD16990579;C11H19BrN2O3;1-Boc-4-bromoacetylpiperazine;SCHEMBL392948;DTXSID40578677;LFJTTZCBJLCUIV-UHFFFAOYSA-N;1-Boc-4-(2-bromoacetyl)piperazine;AKOS015960055;DS-11237;SY086726;CS-0197887;C71406;tert-butyl 4-(bromoacetyl)piperazinecarboxylate;EN300-7337369;A910299;tert-butyl4-(2-bromoacetyl)piperazine-1-carboxylate;4-(2-bromo acetyl)-piperazine-1-carboxylic acid tert butyl ester;4-(2-Bromo-acetyl)-piperazine-1-carboxylic Acid Tert-butyl Ester

Chemical Property of Tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate

Chemical Property:

• Boiling Point: 391.5±37.0 °C(Predicted)
• PKA: -0.41±0.70(Predicted)
• PSA: 49.85000
• Density: 1.395
• LogP: 1.33640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 306.05791
• Heavy Atom Count: 17
• Complexity: 294

Purity/Quality:

97% ^*data from raw suppliers

4-(Bromoacetyl)-1-Boc-piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CBr
• Uses: 4-(Bromoacetyl)-1-Boc-piperazine is an inhibitor of transglutaminase.

Technology Process of Tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate

There total 5 articles about Tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate 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: 99.0%

2-Bromoacetyl bromide (598-21-0) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(2-bromoacetyl)piperazine-1-carboxylic acid tert butyl ester (112257-12-2)

Guidance literature:

With sodium carbonate; In dichloromethane; at 0 - 25 ℃;

DOI:10.1021/ja074717z

Reference yield: 66.0%

diisopropylethyl amine (861359-74-2) + 2-Bromoacetyl bromide (598-21-0) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(2-bromoacetyl)piperazine-1-carboxylic acid tert butyl ester (112257-12-2)

Guidance literature:

In dichloromethane;

Reference yield:

bromoacetic acid (79-08-3) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(2-bromoacetyl)piperazine-1-carboxylic acid tert butyl ester (112257-12-2)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm070564e

upstream raw materials:

2-Bromoacetyl bromide

1-t-Butoxycarbonylpiperazine

bromoacetic acid

sodium carbonate

Downstream raw materials:

1-triphenylphosphoranylidenemethylcarbonyl-4-tert-butoxycarbonyl-piperazine

4-methylbenzenesulfinic acid 1,1,3,3-tetramethylguanidine salt

tert-butyl 4-(2-diazoacetyl)piperazine-1-carboxylate

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