4-Bromo-5-methoxy-2-methylaniline

Base Information

• Chemical Name: 4-Bromo-5-methoxy-2-methylaniline
• CAS No.: 152626-77-2
• Molecular Formula: C8H10BrNO
• Molecular Weight: 216.077
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID70570922
• Wikidata: Q82458495
• Mol file: 152626-77-2.mol

Synonyms:4-Bromo-5-methoxy-2-methylaniline;152626-77-2;4-Bromo-5-methoxy-2-methyl-phenylamine;5-Amino-2-bromo-4-methylanisole;MFCD11007879;SCHEMBL1770841;DTXSID70570922;HCWSMYJWPZRXOD-UHFFFAOYSA-N;AKOS015999583;4-Bromo-5-methoxy-2-methylphenylamine;SB33834;AC-29505;DS-15037;SY027059;CS-0153287;Y10027;A883889

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

Chemical Property:

• Melting Point: 79-80 °C
• Boiling Point: 288.4±35.0 °C(Predicted)
• PKA: 3.32±0.10(Predicted)
• PSA: 35.25000
• Density: 1.458±0.06 g/cm3(Predicted)
• LogP: 2.92950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 214.99458
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

4-bromo-5-methoxy-2-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N)OC)Br

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

There total 5 articles about 4-Bromo-5-methoxy-2-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%

5-methoxy-o-toluidine (50868-72-9) → 4-bromo-5-methoxy-2-methylaniline (152626-77-2)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at 20 ℃; for 2h; Cooling with ice;

Reference yield: 77.0%

5-methoxy-o-toluidine (50868-72-9) → 4,6-dibromo-5-methoxy-2-methylaniline (1321600-81-0) + 4-bromo-5-methoxy-2-methylaniline (152626-77-2)

Guidance literature:

With N-Bromosuccinimide; In chloroform; at 5 - 20 ℃;

DOI:10.1016/j.tet.2011.05.128

Reference yield:

aqueous sodium nitrite + 2-methoxy-4-nitro-5-methyl aniline (134-19-0) → 4-bromo-5-methoxy-2-methylaniline (152626-77-2)

Guidance literature:

With sodium hydroxide; hydrogen bromide; sodium hydrogensulfite; copper(I) bromide; In dichloromethane; water;

upstream raw materials:

acetic acid-(4-bromo-5-methoxy-2-methyl-anilide)

5’-methoxy-2’-methylacetanilide

2-methoxy-4-nitro-5-methyl aniline

5-methoxy-o-toluidine

Downstream raw materials:

C₂₀H₁₉F₃N₂O₂

5-bromo-6-methoxy-1H-indazole

6-cyclopropyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole

6-methoxy-5-(2-(trifluoromethyl)phenyl)-1H-indazole