N,N-diethyl-4-fluorobenzamide

Base Information

• Chemical Name: N,N-diethyl-4-fluorobenzamide
• CAS No.: 10366-88-8
• Molecular Formula: C11H14FNO
• Molecular Weight: 195.237
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40395366
• Mol file: 10366-88-8.mol

Synonyms:N,N-diethyl-4-fluorobenzamide;10366-88-8;N,N-diethyl-4-fluoro-benzamide;SCHEMBL3170579;DTXSID40395366;GSGFTBHFBGGZPS-UHFFFAOYSA-N;MFCD00592276;AKOS002984965;N,N-Diethyl-4-fluorobenzaMide, 97per cent;CS-0195427;E89483;Z31723195

Chemical Property of N,N-diethyl-4-fluorobenzamide

Chemical Property:

• PSA: 20.31000
• LogP: 2.30770
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 195.105942232
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

98%,99%, ^*data from raw suppliers

N,N-Diethyl-4-Fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,N-diethyl-4-fluorobenzamide

There total 8 articles about N,N-diethyl-4-fluorobenzamide 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%

4-fluorobenzoyl chloride (403-43-0) + diethylamine (109-89-7) → 4-fluoro-N,N-diethyl-benzamide (10366-88-8)

Guidance literature:

With potassium carbonate; In water; toluene; at 0 - 18 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo901798d

Reference yield: 96.0%

→ 4-fluoro-N,N-diethyl-benzamide (10366-88-8)

Guidance literature:

Reference yield: 92.0%

2-(diethylamino)-2-oxoacetic acid (55441-26-4) + potassim 4-fluorophenyltrifluoroborate → 4-fluoro-N,N-diethyl-benzamide (10366-88-8)

Guidance literature:

With dipotassium peroxodisulfate; palladium diacetate; In water; dimethyl sulfoxide; acetonitrile; at 20 ℃;

DOI:10.1039/c1cc11635e

upstream raw materials:

4-fluorobenzoyl chloride

diethylamine

2-(diethylamino)-2-oxoacetic acid

4-fluoro-1-iodobenzene

Downstream raw materials:

{2-[(diethylamino)carbonyl]-5-fluorophenyl}boronic acid

C₁₁H₁₅BFNO₃

4-(2-cyclopropylethoxy)-N,N-diethylbenzamide

2-(4-fluoro-phenyl)-1-pyridin-2-yl-ethanone

Refernces

• 1、 Qi, Xinxin,Zhou, Rong,Ai, Han-Jun,Wu, Xiao-Feng. "HMF and furfural: Promising platform molecules in rhodium-catalyzed carbonylation reactions for the synthesis of furfuryl esters and tertiary amides". . p. 215 - 221. Retrieved 2019/11/25.
• 2、 Wang, Shi-Meng,Zhao, Chuang,Zhang, Xu,Qin, Hua-Li. "Clickable coupling of carboxylic acids and amines at room temperature mediated by SO2F2: A significant breakthrough for the construction of amides and peptide linkages". . p. 4087 - 4101. Retrieved 2019/04/30.