4'-Bromo-3'-fluoroacetanilide

Base Information

• Chemical Name: 4'-Bromo-3'-fluoroacetanilide
• CAS No.: 351-30-4
• Molecular Formula: C8H7 Br F N O
• Molecular Weight: 232.052
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90378366
• Wikidata: Q82167894
• Mol file: 351-30-4.mol

Synonyms:351-30-4;4'-Bromo-3'-fluoroacetanilide;N-(4-bromo-3-fluorophenyl)acetamide;4-bromo-3-fluoroacetanilide;Acetamide, N-(4-bromo-3-fluorophenyl)-;4-bromo-3'-fluoroacetanilide;SCHEMBL9335;DTXSID90378366;GAQUWJRFYLETKX-UHFFFAOYSA-N;MFCD00672937;AKOS009158316;N-(4-bromo-3-fluoro-phenyl)acetamide;PS-7697;P-BUTOXYBENZYLIDENEP-HEPTYLANILINE;CS-0194763;A822589

Chemical Property of 4'-Bromo-3'-fluoroacetanilide

Chemical Property:

• Melting Point: 149-152°C
• Boiling Point: 337.9°Cat760mmHg
• Flash Point: 158.1°C
• PSA: 29.10000
• Density: 1.623g/cm³
• LogP: 2.61960
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 230.96950
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98%Min ^*data from raw suppliers

4''-Bromo-3''-fluoroacetanilide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-Bromo-3'-fluoroacetanilide

There total 4 articles about 4'-Bromo-3'-fluoroacetanilide 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: 100.0%

N-(3-fluorophenyl)acetamide (351-28-0) → N-(4-bromo-3-fluorophenyl)ethanamide (351-30-4)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; a) reflux, 5 h, b) room temp., 16 h;

Reference yield:

3-fluoro-4-bromophenylamine (656-65-5) + acetic anhydride (108-24-7) → N-(4-bromo-3-fluorophenyl)ethanamide (351-30-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

Reference yield:

meta-fluoroaniline (372-19-0) → N-(4-bromo-3-fluorophenyl)ethanamide (351-30-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / acetic acid / 0.33 h / Heating

2: 100 percent / NBS / CH₂Cl₂ / a) reflux, 5 h, b) room temp., 16 h

With N-Bromosuccinimide; In dichloromethane; acetic acid;

upstream raw materials:

N-(3-fluorophenyl)acetamide

meta-fluoroaniline

N-Bromosuccinimide

3-fluoro-4-bromophenylamine

Downstream raw materials:

N-(4-bromo-3-fluoro-phenyl)-N'-phenyl-urea

5-bromo-6-fluoro-1H-indole

4-bromo-5-fluoro-2-[(trimethylsilyl)ethynyl]aniline

4-bromo-5-fluoro-2-iodoaniline

Refernces

• 1、 Tian, Chao,Yao, Xu,Ji, Weizhe,Wang, Qian,An, Guanghui,Li, Guangming. "A para-C–H Functionalization of Aniline Derivatives via In situ Generated Bulky Hypervalent Iodinium Reagents". supporting information. p. 5972 - 5979. Retrieved 2018/11/23.
• 2、 -. "SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY". Page/Page column 97. . Retrieved 2015/01/07.