2-Bromo-N,N-dibutylacetamide

Base Information

• Chemical Name: 2-Bromo-N,N-dibutylacetamide
• CAS No.: 40124-27-4
• Molecular Formula: C10H20BrNO
• Molecular Weight: 250.179
• Hs Code.: 2924199090
• European Community (EC) Number: 254-797-7
• DSSTox Substance ID: DTXSID30193156
• Nikkaji Number: J261.523A
• Wikidata: Q83065876
• Mol file: 40124-27-4.mol

Synonyms:2-Bromo-N,N-dibutylacetamide;40124-27-4;2-bromo-N,N-dibutyl-acetamide;EINECS 254-797-7;Acetamide, 2-bromo-N,N-dibutyl-;N,N-Dibutyl bromoacetamide;N,N-dibutyl-2-bromoacetamide;SCHEMBL4997835;C10-H20-Br-N-O;N,N-DIBUTYLBROMOACETAMIDE;DTXSID30193156;UQISDSAIAARTPX-UHFFFAOYSA-N;CS-M2195;AKOS012989804;CS-14619;FT-0767923

Chemical Property of 2-Bromo-N,N-dibutylacetamide

Chemical Property:

• Vapor Pressure: 0.0019mmHg at 25°C
• Boiling Point: 291.8°C at 760 mmHg
• Flash Point: 130.3°C
• PSA: 20.31000
• Density: 1.184g/cm³
• LogP: 2.81010
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 249.07283
• Heavy Atom Count: 13
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-N,N-dibutylacetamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)C(=O)CBr

Technology Process of 2-Bromo-N,N-dibutylacetamide

There total 5 articles about 2-Bromo-N,N-dibutylacetamide 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%

dibutylamine (111-92-2) + 2-Bromoacetyl bromide (598-21-0) → N,N-dibutylbromoacetamide (40124-27-4)

Guidance literature:

With potassium carbonate; In dichloromethane; water; at 0 - 20 ℃; for 6.5h;

DOI:10.1039/c9cc00857h

Reference yield: 82.0%

dibutylamine (111-92-2) + bromoacetic acid (79-08-3) → N,N-dibutylbromoacetamide (40124-27-4)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane; for 12h;

DOI:10.1039/a707786f

Reference yield:

dibutylamine (111-92-2) → N,N-dibutylbromoacetamide (40124-27-4)

Guidance literature:

2-Bromoacetyl bromide; With triethylamine; In dichloromethane; at -78 ℃; for 0.333333h;

dibutylamine; In dichloromethane; at -78 ℃;

upstream raw materials:

dibutylamine

2-Bromoacetyl bromide

bromoacetic acid

2-bromoacetyl chloride

Downstream raw materials:

[3-(dibutylcarbamoyl-methyl)-5-nitro-3H-thiazol-2-ylidene]-carbamic acid phenyl ester

N,N-dibutyl-nonanamide

Ν,Ν-dibutyl-octanamide

(E)-N,N-Dibutyl-3-pentafluorophenyl-acrylamide

Refernces

• 1、 Bai, Li-Ping,Fu, Xiangjing,Guo, Yong,Han, Meiyue,Hou, Enhua,Liu, Jifeng,Qin, Shangshang,Wen, Tingyu,Yan, Xiaoting. "Development of Membrane-Active Honokiol/Magnolol Amphiphiles as Potent Antibacterial Agents against Methicillin-Resistant Staphylococcus aureus (MRSA)". . p. 12903 - 12916. Retrieved 2021.
• 2、 Chu, Wenchao,Yang, Yi,Qin, Shangshang,Cai, Jianfeng,Bai, Mengmeng,Kong, Hongtao,Zhang, En. "Low-toxicity amphiphilic molecules linked by an aromatic nucleus show broad-spectrum antibacterial activity and low drug resistance". supporting information. p. 4307 - 4310. Retrieved 2019/04/17.