2-Bromo-4-fluoro-6-methylaniline

Base Information

• Chemical Name: 2-Bromo-4-fluoro-6-methylaniline
• CAS No.: 202865-77-8
• Molecular Formula: C7H7BrFN
• Molecular Weight: 204.042
• Hs Code.: 2921430090
• European Community (EC) Number: 625-259-2
• DSSTox Substance ID: DTXSID60378419
• Wikidata: Q82167926
• Mol file: 202865-77-8.mol

Synonyms:2-Bromo-4-fluoro-6-methylaniline;202865-77-8;Benzenamine, 2-bromo-4-fluoro-6-methyl-;MFCD01861196;2-Bromo-4-fluoro-6-methyl-phenylamine;SCHEMBL1866577;DTXSID60378419;VTWSBILIFIFEFG-UHFFFAOYSA-N;AKOS015890106;AC-1580;AM61830;CS-W015440;PS-8159;SB78464;2-Bromo-4-fluoro-6-methylaniline, 97%;SY018480;FT-0643890;A19731;EN300-131422;J-013186;Z1269188464;4-Amino-n-(6-chloro-5-methoxy-4-pyrimidinyl)benzenesnlfonamide

Chemical Property of 2-Bromo-4-fluoro-6-methylaniline

Chemical Property:

• Vapor Pressure: 0.0237mmHg at 25°C
• Melting Point: 32-36°C
• Refractive Index: 1.584
• Boiling Point: 248.879 °C at 760 mmHg
• PKA: 2.45±0.10(Predicted)
• Flash Point: 104.319 °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%,99%, ^*data from raw suppliers

2-Bromo-4-fluoro-6-methylaniline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N)Br)F

Technology Process of 2-Bromo-4-fluoro-6-methylaniline

There total 1 articles about 2-Bromo-4-fluoro-6-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: 92.0%

4-fluor-2-methylaniline (452-71-1) → 2-bromo-4-fluoro-6-methyl-phenylamine (202865-77-8)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at -10 - 20 ℃; for 16h;

Reference yield: 100.0%

2-bromo-4-fluoro-6-methyl-phenylamine (202865-77-8) + trans-2-phenylvinylboronic acid (6783-05-7) → (E)-4-fluoro-2-methyl-6-styrylaniline (1054568-26-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; toluene; for 24h; Reflux;

DOI:10.1002/anie.200800689

Reference yield: 84.0%

potassium cyanide + 2-bromo-4-fluoro-6-methyl-phenylamine (202865-77-8) → 2-bromo-4-fluoro-6-methylbenzonitrile (916792-09-1)

Guidance literature:

potassium cyanide; 2-bromo-4-fluoro-6-methyl-phenylamine; With hydrogenchloride; copper(l) chloride; In water; toluene; at 0 ℃; Heating;

With sodium carbonate decahydrate; sodium nitrite; In water; toluene; at 2 - 70 ℃; pH=7;

upstream raw materials:

4-fluor-2-methylaniline

Downstream raw materials:

(E)-4-fluoro-2-methyl-6-styrylaniline

7-bromo-5-fluoro-1H-indazole

2-bromo-4-fluoro-6-methylbenzonitrile

2-bromo-4-fluoro-6-methylbenzamide

Refernces

• 1、 Shen, Tao,Zhu, Bencong,Lin, Fengguirong,Pan, Jun,Wei, Jialiang,Luo, Xiao,Liu, Jianzhong,Jiao, Ning. "Direct Synthesis of Structurally Divergent Indole Alkaloids from Simple Chemicals". supporting information. p. 815 - 818. Retrieved 2018/07/31.
• 2、 -. "3-0X0-2, 3, -DIHYDRO-LH-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION". Page/Page column 34. . Retrieved 2011/02/24.