4-Fluoro-N-isopropylbenzamide

Base Information

• Chemical Name: 4-Fluoro-N-isopropylbenzamide
• CAS No.: 70001-45-5
• Molecular Formula: C10H12FNO
• Molecular Weight: 181.21
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70349953
• Nikkaji Number: J3.123.583I
• Wikidata: Q82125566
• Mol file: 70001-45-5.mol

Synonyms:4-Fluoro-N-isopropylbenzamide;70001-45-5;N-ISOPROPYL 4-FLUOROBENZAMIDE;4-fluoro-N-propan-2-ylbenzamide;4-fluoro-N-(propan-2-yl)benzamide;4-Fluoro-N-isopropyl-benzamide;TimTec1_002988;SCHEMBL2185023;DTXSID70349953;HMS1542H18;MFCD01214150;STK042351;AKOS000439117;NCGC00326434-01;BS-23774;CS-0207221;10.14272/UAYKRRFVQXRMSI-UHFFFAOYSA-N;AB01321659-02;A836729;doi:10.14272/UAYKRRFVQXRMSI-UHFFFAOYSA-N;BRD-K18974190-001-01-9

Chemical Property of 4-Fluoro-N-isopropylbenzamide

Chemical Property:

• Vapor Pressure: 0.0015mmHg at 25°C
• Melting Point: 142-144°C
• Boiling Point: 295.7°C at 760 mmHg
• Flash Point: 132.6°C
• PSA: 29.10000
• Density: 1.082g/cm³
• LogP: 2.35480
• Storage Temp.: Keep Cold
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 181.090292168
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

≥95% ^*data from raw suppliers

N-Isopropyl4-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluoro-N-isopropylbenzamide

There total 4 articles about 4-Fluoro-N-isopropylbenzamide 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: 95.0%

4-Fluorobenzoic acid (456-22-4) + diisopropylamine (108-18-9) → 4-fluoro-N-isopropylbenzamide (70001-45-5)

Guidance literature:

4-Fluorobenzoic acid; With thionyl chloride; In dichloromethane; Reflux;

diisopropylamine; With triethylamine; In dichloromethane; at 20 ℃; Solvent;

Reference yield:

N-cyclopropyl-4-fluorobenzamide (88229-16-7) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 4-fluoro-N-isopropylbenzamide (70001-45-5) + C16H23BFNO3

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; (S)-2-<4,5-dihydro-4-(1,1-dimethylethyl)oxazol-2-yl>quinoline; In tetrahydrofuran; at 80 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.0c05213

Reference yield:

4-fluorobenzoyl chloride (403-43-0) + isopropylamine (75-31-0) → 4-fluoro-N-isopropylbenzamide (70001-45-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 3h; Cooling with ice; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201200372

upstream raw materials:

Lawessons reagent

4-fluorobenzoyl chloride

isopropylamine

N-cyclopropyl-4-fluorobenzamide

Downstream raw materials:

4-fluoro-N-isopropyl-5,6,7,8-tetraphenyl-1-naphthamide

1-(4-fluorophenyl)-2-methylpropan-1-one