2-Bromo-2-methylpropanamide

Base Information

• Chemical Name: 2-Bromo-2-methylpropanamide
• CAS No.: 7462-74-0
• Molecular Formula: C4H8BrNO
• Molecular Weight: 166.018
• Hs Code.: 29241990
• European Community (EC) Number: 628-106-8
• NSC Number: 402155
• DSSTox Substance ID: DTXSID30225608
• Nikkaji Number: J2.217.653F
• Wikidata: Q83104649
• ChEMBL ID: CHEMBL410431
• Mol file: 7462-74-0.mol

Synonyms:2-bromo-2-methylpropanamide;7462-74-0;2-Bromoisobutyramide;Propanamide, 2-bromo-2-methyl-;2-Bromo-2-methylpropionamide;MFCD08234837;2-BROMO-2,2-DIMETHYLACETAMIDE;Propanamide,2-bromo-2-methyl-;dimethylbromoacetamide;Bromisobuttersaureamid;NSC402155;NSC 402155;2-bromo-2-methyl-propanamide;SCHEMBL838944;2-Bromo-2-methyl-propionamide;CHEMBL410431;AMY7268;DTXSID30225608;WTRIMJTZOOLIFZ-UHFFFAOYSA-N;2-Bromo-2-methylpropionamide, 97%;AKOS015833851;CS-W004757;MB05789;NSC-402155;DS-15732;SY025026;B3380;EN300-137716;J-508188;Z1255458262

Chemical Property of 2-Bromo-2-methylpropanamide

Chemical Property:

• Vapor Pressure: 0.0389mmHg at 25°C
• Melting Point: 145-149 °C
• Refractive Index: 1.498
• Boiling Point: 240 °C at 760 mmHg
• PKA: 14.79±0.50(Predicted)
• Flash Point: 98.9 °C
• PSA: 43.09000
• Density: 1.528 g/cm³
• LogP: 1.34550
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 164.97893
• Heavy Atom Count: 7
• Complexity: 89.7

Purity/Quality:

97% ^*data from raw suppliers

2-Bromoisobutyramide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn，Xi
• Hazard Codes: Xi,Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)N)Br

Technology Process of 2-Bromo-2-methylpropanamide

There total 10 articles about 2-Bromo-2-methylpropanamide 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%

2-bromoisobutyric acid bromide (20769-85-1) → 2-bromo-2-methylpropanamide (7462-74-0)

Guidance literature:

With ammonium hydroxide; In hexane; at 0 ℃; for 0.5h;

DOI:10.1016/S0040-4020(97)00314-1

Reference yield:

2-bromoisobutyric acid bromide (20769-85-1) + benzaldehyde (100-52-7) → 2-bromo-2-methylpropanamide (7462-74-0) + 2,2-dimethyl-3-hydroxy-3-phenylpropionamide (91246-99-0)

Guidance literature:

2-bromoisobutyric acid bromide; With deprotected MHBA-Rink amide resin; N-ethyl-N,N-diisopropylamine;

benzaldehyde; With chromium dichloride; lithium iodide; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h;

With trifluoroacetic acid; In dichloromethane;

DOI:10.1016/j.tetlet.2004.10.038

Reference yield:

2-bromo-2-methylpropionyl chloride (20469-89-0) → 2-bromo-2-methylpropanamide (7462-74-0)

Guidance literature:

With ammonia; water;

DOI:10.1021/ja01267a047

upstream raw materials:

ethyl 2-bromoisobutyrate

2-bromo-2-methyl-propionitrile

2-bromo-2-methylpropionyl chloride

2-bromoisobutyric acid bromide

Downstream raw materials:

3-hydroxy-2,2-dimethyl-3-(2-nitro-phenyl)-propionic acid amide

α-p-tolyloxy-isobutyric acid amide

2-(4-chlorophenoxy)-2-methylpropanamide

2-(2-Methoxy-phenoxy)-2-methyl-propionamide