2-bromo-N-tert-butyl-3,3-dimethylbutanamide

Base Information

• Chemical Name: 2-bromo-N-tert-butyl-3,3-dimethylbutanamide
• CAS No.: 14387-96-3
• Molecular Formula: C₁₀H₂₀BrNO
• Molecular Weight: 250.179
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID10383553
• Nikkaji Number: J1.795.588H
• Mol file: 14387-96-3.mol

Synonyms:2-bromo-N-tert-butyl-3,3-dimethylbutanamide;14387-96-3;N1-(tert-butyl)-2-bromo-3,3-dimethylbutanamide;Butanamide, 2-bromo-N-(1,1-dimethylethyl)-3,3-dimethyl-;SCHEMBL3900079;DTXSID10383553;AKOS015908639;FT-0629686;N-tert-Butyl-3,3-dimethyl-2-bromobutyramide

Chemical Property of 2-bromo-N-tert-butyl-3,3-dimethylbutanamide

Chemical Property:

• Vapor Pressure: 0.000604mmHg at 25°C
• Boiling Point: 310.3°Cat760mmHg
• Flash Point: 141.5°C
• PSA: 29.10000
• Density: 1.173g/cm³
• LogP: 3.10160
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 249.07283
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

N1-(TERT-BUTYL)-2-BROMO-3,3-DIMETHYLBUTANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(C(=O)NC(C)(C)C)Br

Technology Process of 2-bromo-N-tert-butyl-3,3-dimethylbutanamide

There total 2 articles about 2-bromo-N-tert-butyl-3,3-dimethylbutanamide 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: 87.0%

1,3-di-tert-butylaziridin-2-one (14387-89-4) → 2-bromo-N-(tert-butyl)-3,3-dimethylbutanamide (14387-96-3)

Guidance literature:

With magnesium bromide; In toluene; Heating;

DOI:10.1039/a800564h

Reference yield:

3,3-dimethylbutanoic acid chloride (7065-46-5) + tert-butylamine (75-64-9) → 2-bromo-N-(tert-butyl)-3,3-dimethylbutanamide (14387-96-3)

Guidance literature:

Multistep reaction; (i) Br₂, CCl₄, (ii) /BRN= 605267/, CH₂Cl₂;

DOI:10.1021/ja00978a034

Reference yield: 98.0%

2-bromo-N-(tert-butyl)-3,3-dimethylbutanamide (14387-96-3) → 1,3-di-tert-butylaziridin-2-one (14387-89-4)

Guidance literature:

With 15-crown-5; sodium hydride; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1055/s-2002-33652

upstream raw materials:

1,3-di-tert-butylaziridin-2-one

3,3-dimethylbutanoic acid chloride

tert-butylamine

Downstream raw materials:

1,3-di-tert-butylaziridin-2-one

2-[tert-Butyl-(2,4,6-trinitro-phenyl)-amino]-3,3-dimethyl-butyric acid tert-butyl ester

Refernces

• 1、 Sheehan,J.C.,Beeson,J.H.. "-". . p. 362 - 366. Retrieved 1967.