2-Bromo-5-fluoro-4-methylaniline

Base Information

• Chemical Name: 2-Bromo-5-fluoro-4-methylaniline
• CAS No.: 202865-78-9
• Molecular Formula: C7H7BrFN
• Molecular Weight: 204.042
• Hs Code.: 2921430090
• European Community (EC) Number: 672-497-8
• DSSTox Substance ID: DTXSID70378420
• Wikidata: Q72456125
• ChEMBL ID: CHEMBL4935197
• Mol file: 202865-78-9.mol

Synonyms:2-Bromo-5-fluoro-4-methylaniline;202865-78-9;benzenamine, 2-bromo-5-fluoro-4-methyl-;MFCD00142871;benzenamine, 2-bromo-5-fluoro-4-methyl;SCHEMBL832549;CHEMBL4935197;DTXSID70378420;ZHSUEJWJGKIOGI-UHFFFAOYSA-N;AKOS015835120;2-Bromo-5-fluoro-4-methyl-phenylamine;AC-1581;AM61831;PS-8158;SB78283;SY101280;CS-0138313;FT-0643891;A19732

Chemical Property of 2-Bromo-5-fluoro-4-methylaniline

Chemical Property:

• Vapor Pressure: 0.029mmHg at 25°C
• Melting Point: 39-41 °C
• Refractive Index: 1.584
• Boiling Point: 245.262 °C at 760 mmHg
• PKA: 1.95±0.10(Predicted)
• Flash Point: 102.131 °C
• PSA: 26.02000
• Density: 1.589 g/cm³
• LogP: 3.06000
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 202.97459
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-5-fluoro-4-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1F)N)Br

Technology Process of 2-Bromo-5-fluoro-4-methylaniline

There total 1 articles about 2-Bromo-5-fluoro-4-methylaniline 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%

3-fluoro-4-methyl-phenylamine (452-77-7) → 2-bromo-5-fluoro 4-methylaniline (202865-78-9)

Guidance literature:

With bromine; potassium carbonate; In dichloromethane; at -15 ℃; for 1h;

Reference yield: 100.0%

formic acid (64-18-6) + 2-bromo-5-fluoro 4-methylaniline (202865-78-9) → N-(2-bromo-5-fluoro-4-methylphenyl)formamide

Guidance literature:

With acetic anhydride; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jacs.7b01833

Reference yield: 95.0%

2-bromo-5-fluoro 4-methylaniline (202865-78-9) + 3-pyridylboronic acid (1692-25-7) → 3-(2-amino-4-fluoro-5-methylphenyl)pyridine (1296770-59-6)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; water; at 80 ℃; for 2.5h; Inert atmosphere;

DOI:10.1021/ol2008268

upstream raw materials:

3-fluoro-4-methyl-phenylamine

Downstream raw materials:

1-bromo-2-chloro-4-fluoro-5-methylbenzene

2-amino-4-fluoro-5-methylbenzonitrile

3-(2-azido-4-fluoro-5-methylphenyl)pyridine

1-methyl-3-(2-azido-4-fluoro-5-methylphenyl)pyridinium triflate

Refernces

• 1、 Shen, Tao,Zhang, Yiqun,Liang, Yu-Feng,Jiao, Ning. "Direct Tryptophols Synthesis from 2-Vinylanilines and Alkynes via C - C Triple Bond Cleavage and Dioxygen Activation". supporting information. p. 13147 - 13150. Retrieved 2016/10/24.
• 2、 -. "5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF". Page/Page column 64. . Retrieved 2010/12/31.