4-Fluorobenzamide

Base Information

• Chemical Name: 4-Fluorobenzamide
• CAS No.: 824-75-9
• Molecular Formula: C7H6FNO
• Molecular Weight: 139.129
• Hs Code.: 29242990
• European Community (EC) Number: 212-535-9
• NSC Number: 102765
• UNII: YB79F3XB1G
• DSSTox Substance ID: DTXSID60231717
• Nikkaji Number: J149.990D
• Wikidata: Q27294434
• ChEMBL ID: CHEMBL125596
• Mol file: 824-75-9.mol

Synonyms:4-(18F)fluorobenzyl amide;4-fluorobenzamide;4-fluorobenzylamide;p-fluorobenzylamide

Chemical Property of 4-Fluorobenzamide

Chemical Property:

• Appearance/Colour: white to light beige powder
• Vapor Pressure: 0.17mmHg at 25°C
• Melting Point: 154-157 °C(lit.)
• Refractive Index: 1.475
• Boiling Point: 253.1 °C at 760 mmHg
• PKA: 15.93±0.50(Predicted)
• Flash Point: 106.9 °C
• PSA: 43.09000
• Density: 1.238 g/cm³
• LogP: 1.62490
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.043341977
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

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

4-Fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)N)F

Technology Process of 4-Fluorobenzamide

There total 62 articles about 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: 99.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) → p-fluorobenzamide (824-75-9)

Guidance literature:

With polystyrene-triethylenetetramine anchored ruthenium(II) complex; air; In water; at 90 ℃; for 7h; Green chemistry;

DOI:10.1002/aoc.3233

Reference yield: 99.0%

4-fluorobenzaldoxime (459-23-4,7304-35-0) → p-fluorobenzamide (824-75-9)

Guidance literature:

With C₅₅H₄₅ClN₅P₂Ru⁽¹⁺⁾*Cl^(1-); In water; at 110 ℃; for 12h; Sealed tube;

DOI:10.1039/c6ra07515k

Reference yield: 98.0%

para-fluorobenzylamine (140-75-0) → p-fluorobenzamide (824-75-9)

Guidance literature:

With C₃₁H₂₉Br₂N₃Ru; potassium tert-butylate; In tert-butyl alcohol; at 70 ℃; for 24h;

DOI:10.1039/d1cy01541a

upstream raw materials:

4-Fluorobenzoic acid

p-fluorobenzoyl cyanide

N-chloro-N'-(4-fluoro-benzoyl)-acetamidine

4-fluorobenzoyl chloride

Downstream raw materials:

4-(piperidin-1-yl)benzamide

N-benzyl-4-fluorobenzamide

4-fluorothiobenzamide

N-chloroacetyl-4-fluoro-benzamide

Refernces

• 1、 Zhou, Liandi,Liu, Wei,Zhao, Yongli,Chen, Junmin. "Cu(II)-promoted oxidative C-N bond cleavage of N-benzoylamino acids to primary aryl amides". . p. 52 - 62. Retrieved 2021/02/06.
• 2、 Ben-David, Yehoshoa,Diskin-Posner, Yael,Kar, Sayan,Milstein, David,Zhou, Quan-Quan,Zou, You-Quan. "Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation". . p. 10239 - 10245. Retrieved 2021/08/24.