N-Benzyl-2-bromo-N-phenylbutanamide

Base Information

• Chemical Name: N-Benzyl-2-bromo-N-phenylbutanamide
• CAS No.: 851073-30-8
• Molecular Formula: C17H18BrNO
• Molecular Weight: 332.24
• Hs Code.: 2924299090
• European Community (EC) Number: 632-940-8
• DSSTox Substance ID: DTXSID60458523
• Nikkaji Number: J3.530.985C
• Mol file: 851073-30-8.mol

Synonyms:N-Benzyl-2-bromo-N-phenylbutanamide;851073-30-8;starbld0011454;DTXSID60458523;N-Phenyl-N-benzyl-2-bromobutanamide;AKOS012150237;N-Benzyl-2-bromo-N-phenylbutanamide, 97%;J3.530.985C

Chemical Property of N-Benzyl-2-bromo-N-phenylbutanamide

Chemical Property:

• Melting Point: 44-50°C
• Flash Point: >110℃
• PSA: 20.31000
• LogP: 4.39330
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 331.05718
• Heavy Atom Count: 20
• Complexity: 295

Purity/Quality:

N-Benzyl-2-bromo-N-phenylbutanamide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2)Br

Technology Process of N-Benzyl-2-bromo-N-phenylbutanamide

There total 2 articles about N-Benzyl-2-bromo-N-phenylbutanamide 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:

2-bromo-butyryl bromide (26074-52-2) + N-Benzylaniline (758640-21-0,103-32-2) → 2-bromo-N-phenyl-N-(phenylmethyl)-butanamide (851073-30-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 0.166667h;

DOI:10.1021/ja0506509

Reference yield:

N-Benzylaniline (758640-21-0,103-32-2) → 2-bromo-N-phenyl-N-(phenylmethyl)-butanamide (851073-30-8)

Guidance literature:

With diethyl ether;

Reference yield: 90.0%

2-bromo-N-phenyl-N-(phenylmethyl)-butanamide (851073-30-8) + (1-hexyl)zinc(II) bromide (124397-96-2) → (R)-(+)-N-benzyl-N-phenyl-2-ethyloctanamide (866594-20-9)

Guidance literature:

With 2,6-bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine; In various solvent(s); at 0 ℃; for 12h;

DOI:10.1021/ja0506509

upstream raw materials:

N-Benzylaniline

2-bromo-butyryl bromide

Downstream raw materials:

(R)-(+)-N-benzyl-N-phenyl-2-ethyloctanamide

Refernces