N-(4-chlorophenyl)-N-ethylformamide

Base Information

• Chemical Name: N-(4-chlorophenyl)-N-ethylformamide
• CAS No.: 13519-67-0
• Molecular Formula: C9H10 Cl N O
• Molecular Weight: 183.63
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90384124
• Wikidata: Q82176072
• Mol file: 13519-67-0.mol

Synonyms:N-(4-chlorophenyl)-N-ethylformamide;13519-67-0;Formamide,N-(4-chlorophenyl)-N-ethyl-;4-chlorophenyl(ethyl)formamide;SCHEMBL8420935;DTXSID90384124;MFCD00046138;AKOS006230454;N-(4-chlorophenyl)-N-ethyl-formamide;FT-0629219;A806897

Chemical Property of N-(4-chlorophenyl)-N-ethylformamide

Chemical Property:

• Vapor Pressure: 0.000611mmHg at 25°C
• Boiling Point: 310.2°Cat760mmHg
• Flash Point: 141.4°C
• PSA: 20.31000
• Density: 1.198g/cm³
• LogP: 2.95860
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.0450916
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

98%Min ^*data from raw suppliers

N-(4-CHLOROPHENYL)-N-ETHYLFORMAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(C=O)C1=CC=C(C=C1)Cl

Technology Process of N-(4-chlorophenyl)-N-ethylformamide

There total 5 articles about N-(4-chlorophenyl)-N-ethylformamide 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: 98.0%

C18H18Cl2CuN2O2(1-)*Li(1+) → 4-chloro-N-ethylformanilide (13519-67-0)

Guidance literature:

With hydrogenchloride; diethyl ether; In diethyl ether; at -78 ℃; for 0.5h;

DOI:10.1016/0022-328X(85)80441-1

Reference yield:

N-(4-chlorophenyl)acetamide (539-03-7) → 4-chloro-N-ethylformanilide (13519-67-0)

Guidance literature:

Multi-step reaction with 2 steps

1: borane-methyl sulfide complex / tetrahydrofuran / 2 h / Heating

With dimethylsulfide borane complex; In tetrahydrofuran;

DOI:10.1002/ejoc.200500333

Reference yield:

4-chloro-aniline (106-47-8) → 4-chloro-N-ethylformanilide (13519-67-0)

Guidance literature:

Multi-step reaction with 3 steps

1: borane-methyl-sulfide complex / tetrahydrofuran / 0 °C

2: Heating

With dimethylsulfide borane complex; In tetrahydrofuran;

DOI:10.1021/ja0436143

upstream raw materials:

formic acid

N-ethyl-4-chloro-aniline

N-(4-chlorophenyl)acetamide

4-chloro-aniline

Downstream raw materials:

N-cyclopropyl-N-ethyl-p-chloroaniline

N-(4-Chloro-phenyl)-N-ethyl-thioformamide

N-ethyl-4-chloro-aniline

Refernces

• 1、 Bhakta, Mehul N.,Wimalasena, Kandatege. "A mechanistic comparison between cytochrome P450- and chloroperoxidase-catalyzed N-dealkylation of N,N-dialkyl anilines". . p. 4801 - 4805. Retrieved 2007/10/03.