N-T-Butyl-4-fluorobenzamide

Base Information

• Chemical Name: N-T-Butyl-4-fluorobenzamide
• CAS No.: 49834-29-9
• Molecular Formula: C11H14FNO
• Molecular Weight: 195.237
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10401665
• Nikkaji Number: J2.938.498C
• Wikidata: Q82204876
• Mol file: 49834-29-9.mol

Synonyms:49834-29-9;N-T-BUTYL-4-FLUOROBENZAMIDE;N-(tert-Butyl)-4-fluorobenzamide;N-tert-butyl-4-fluorobenzamide;SCHEMBL6417124;DTXSID10401665;MFCD00463095;AKOS002984966;N-tert-Butyl-4-fluorobenzaMide, 97%;BS-28713;CS-0453022;A871713

Chemical Property of N-T-Butyl-4-fluorobenzamide

Chemical Property:

• Melting Point: 126-128 °C
• Boiling Point: 303.6±25.0 °C(Predicted)
• PKA: 14.87±0.46(Predicted)
• PSA: 29.10000
• Density: 1.063±0.06 g/cm3(Predicted)
• LogP: 2.74490
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 195.105942232
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

≥95% ^*data from raw suppliers

N-t-Butyl-4-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-T-Butyl-4-fluorobenzamide

There total 26 articles about N-T-Butyl-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: 97.0%

acetic acid tert-butyl ester (540-88-5) + 4-fluorobenzaldehyde (459-57-4) → N-(tert-butyl)-4-fluorobenzamide (49834-29-9)

Guidance literature:

4-fluorobenzaldehyde; With sodium azide; trifluorormethanesulfonic acid; acetic acid; at 40 ℃; for 2h;

acetic acid tert-butyl ester; With trifluorormethanesulfonic acid; at 40 ℃;

DOI:10.1016/j.tetlet.2016.08.069

Reference yield: 96.0%

4-fluorobenzoyl chloride (403-43-0) → N-(tert-butyl)-4-fluorobenzamide (49834-29-9)

Guidance literature:

Reference yield: 91.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + 1-Bromo-4-fluorobenzene (460-00-4) → N-(tert-butyl)-4-fluorobenzamide (49834-29-9)

Guidance literature:

With water; triphenylphosphine; cesium fluoride; palladium dichloride; In dimethyl sulfoxide; at 90 ℃;

DOI:10.1021/ol103081y

upstream raw materials:

(E)-N-tert-butyl-1-(4-fluorophenyl)formimine

4-fluorobenzoyl chloride

tert-butylamine

ethyl bromoacetate

Downstream raw materials:

4-fluorobenzophenone

(4-Fluorophenyl)(3-methoxyphenyl)methanone

4,4'-Difluorobenzophenone

4-fluorobenzaldehyde

Refernces

• 1、 Park, Jin,Park, Sehoon,Jang, Gwang Seok,Kim, Ran Hui,Jung, Jaehoon,Woo, Sang Kook. "Weak base-promoted selective rearrangement of oxaziridines to amidesviavisible-light photoredox catalysis". supporting information. p. 9995 - 9998. Retrieved 2021/10/06.
• 2、 Hamadi, Hosein,Zanjani, Zohreh,Yadollahi, Mahtab. "CoFe2O4?SiO2-NH-βCD-BF3 as a supramolecular nanocomposite: Synthesis, characterization and catalytic activity". . . Retrieved 2019/11/14.