N-(3-Chloro-4-fluorophenyl)acetamide

Base Information

• Chemical Name: N-(3-Chloro-4-fluorophenyl)acetamide
• CAS No.: 877-90-7
• Molecular Formula: C8H7 Cl F N O
• Molecular Weight: 187.601
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00343343
• Nikkaji Number: J3.515.724G
• Wikidata: Q82114624
• Mol file: 877-90-7.mol

Synonyms:N-(3-Chloro-4-fluorophenyl)acetamide;877-90-7;3'-CHLORO-4'-FLUOROACETANILIDE;3-CHLORO-4-FLUOROACETANILIDE;SCHEMBL6474667;DTXSID00343343;N-Acetyl-3-chloro-4-fluoroaniline;AMY28182;MFCD00018095;STL553877;AKOS002973886;3'-CHLORO-4'-FLUORO ACETANILIDE;AS-19210;CS-0168162;FT-0633062;J3.515.724G;EN300-220600;F21244;A842370

Chemical Property of N-(3-Chloro-4-fluorophenyl)acetamide

Chemical Property:

• Melting Point: 116-119°C
• Boiling Point: 329.4±32.0 °C(Predicted)
• PKA: 13.43±0.70(Predicted)
• PSA: 29.10000
• Density: 1.352±0.06 g/cm3(Predicted)
• LogP: 2.51050
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.0200197
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98%Min ^*data from raw suppliers

N-(3-Chloro-4-fluorophenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)F)Cl

Technology Process of N-(3-Chloro-4-fluorophenyl)acetamide

There total 7 articles about N-(3-Chloro-4-fluorophenyl)acetamide 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: 96.0%

3-chloro-4-fluorophenylamine (367-21-5) + acetic anhydride (108-24-7) → N-(3-chloro-4-fluorophenyl)acetamide (877-90-7)

Guidance literature:

at 20 ℃; for 0.5h;

Reference yield: 37.0%

4'-fluoroacetanilide (351-83-7) → N-(3-chloro-4-fluorophenyl)acetamide (877-90-7) + 2,3-dichloro-4-fluoroacetanilide (36556-53-3) + 2,5-dichloro-4-fluoroacetanilide (398-91-4)

Guidance literature:

With hydrogen fluoride; antimony pentafluoride; sodium chloride; at -20 ℃; for 2h;

DOI:10.1002/chem.202000902

Reference yield:

C21H18ClFNO2Pol + 6-acetoxy-4-chloro-7-methoxyquinazoline (230955-75-6) → N-(3-chloro-4-fluorophenyl)acetamide (877-90-7)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 85 ℃; for 144h; not specified Reagent/catalyst;

DOI:10.1055/s-0037-1610127

upstream raw materials:

3-chloro-4-fluorophenylamine

acetic anhydride

acetyl chloride

6-acetoxy-4-chloro-7-methoxyquinazoline

Downstream raw materials:

6-chloro-7-fluoro-2, 3-diphenylquinoxaline

4-chloro-5-fluorobenzene-1,2-diamine

Refernces

• 1、 Mamontov, Alexander,Martin-Mingot, Agnès,Métayer, Benoit,Karam, Omar,Zunino, Fabien,Bouazza, Fodil,Thibaudeau, Sébastien. "Complementary Site-Selective Halogenation of Nitrogen-Containing (Hetero)Aromatics with Superacids". supporting information. p. 10411 - 10416. Retrieved 2020/07/30.
• 2、 Patel, Saloni B.,Patel, Bhumika D.,Pannecouque, Christophe,Bhatt, Hardik G.. "Design, synthesis and anti-HIV activity of novel quinoxaline derivatives". . p. 230 - 240. Retrieved 2016/04/26.