N-Benzyl-N-cyclopropylformamide

Base Information

• Chemical Name: N-Benzyl-N-cyclopropylformamide
• CAS No.: 246257-66-9
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00440669
• Wikidata: Q82257034
• Mol file: 246257-66-9.mol

Synonyms:N-Benzyl-N-cyclopropylformamide;246257-66-9;SCHEMBL3240531;DTXSID00440669;AKOS014324531;A855225

Chemical Property of N-Benzyl-N-cyclopropylformamide

Chemical Property:

• Boiling Point: 352.3±12.0 °C(Predicted)
• PKA: -1.53±0.20(Predicted)
• PSA: 20.31000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 2.44330
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

N-Benzyl-N-cyclopropylformamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1N(CC2=CC=CC=C2)C=O

Technology Process of N-Benzyl-N-cyclopropylformamide

There total 1 articles about N-Benzyl-N-cyclopropylformamide 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: 96.0%

N-cyclopropylformamide (58644-54-5) + benzyl bromide (100-39-0) → benzylcyclopropylformamide (246257-66-9)

Guidance literature:

With sodium hydride; In benzene; at 40 ℃; for 10h;

DOI:10.1021/jo990458n

Reference yield: 93.0%

ethyl 2,4-dichloro-5-fluoro-benzoyl-acetate (86483-51-4) + benzylcyclopropylformamide (246257-66-9) → C22H20Cl2FNO3

Guidance literature:

ethyl 2,4-dichloro-5-fluoro-benzoyl-acetate; With triethylamine; In toluene; at 50 ℃; for 0.5h;

benzylcyclopropylformamide; In toluene; at 50 ℃; for 3h;

Reference yield: 83.0%

ethylmagnesium bromide (925-90-6) + benzylcyclopropylformamide (246257-66-9) → benzyl-N,N-dicyclopropylamine (246257-67-0)

Guidance literature:

With titanium(IV) isopropylate; In tetrahydrofuran; diethyl ether; at 20 ℃; for 24h;

DOI:10.1021/jo990458n

upstream raw materials:

N-cyclopropylformamide

benzyl bromide

Downstream raw materials:

benzyl-N,N-dicyclopropylamine