3-Bromo-4-isopropoxyaniline

Base Information

• Chemical Name: 3-Bromo-4-isopropoxyaniline
• CAS No.: 191602-43-4
• Molecular Formula: C9H12BrNO
• Molecular Weight: 230.104
• DSSTox Substance ID: DTXSID901288280
• Mol file: 191602-43-4.mol

Synonyms:3-Bromo-4-isopropoxyaniline;191602-43-4;3-bromo-4-propan-2-yloxyaniline;Benzenamine, 3-bromo-4-(1-methylethoxy)-;3-bromo-4-(propan-2-yloxy)aniline;3-Bromo-4isopropoxyaniline;SCHEMBL1272998;3-Bromo-4-isopropoxy-phenylamine;AMY6619;2-isopropoxy-5-amino-bromobenzene;ZGDPDQDFOMFHDD-UHFFFAOYSA-N;DTXSID901288280;XZB34999;AKOS010990175;3-Bromo-4-(1-methylethoxy)benzenamine;3-BROMO-4-ISOPROPOXYBENZENAMINE;DB-339203;CS-0274553;EN300-148315;G72691;A1-20511

Chemical Property of 3-Bromo-4-isopropoxyaniline

Chemical Property:

• PSA: 35.25000
• LogP: 3.39970
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.01023
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-4-isopropoxyaniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C=C1)N)Br

Technology Process of 3-Bromo-4-isopropoxyaniline

There total 3 articles about 3-Bromo-4-isopropoxyaniline 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%

2-bromo-1-isopropoxy-4-nitrobenzene (191602-42-3) → 3-bromo-4-isopropoxyaniline (191602-43-4)

Guidance literature:

With hydrogen; palladium/active carbon; In ethyl acetate;

Reference yield:

2-bromo-4-nitrophenol (5847-59-6) → 3-bromo-4-isopropoxyaniline (191602-43-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / K₂CO₃ / acetone / 48 h / Heating

2: 68 percent / tin; aq. HCl / 3.5 h / Heating

With hydrogenchloride; tin; potassium carbonate; In acetone;

DOI:10.1016/j.jorganchem.2006.07.042

Reference yield:

→ 3-bromo-4-isopropoxyaniline (191602-43-4)

Guidance literature:

With sodium tetrahydroborate; nickel(II) acetate tetrahydrate; In water; acetonitrile; at 10 - 20 ℃;

upstream raw materials:

2-bromo-1-isopropoxy-4-nitrobenzene

2-bromo-4-nitrophenol

Downstream raw materials:

4-isopropoxy-3-vinylaniline

Refernces

• 1、 Rix, Diane,Clavier, Hervé,Coutard, Yann,Gulajski, Lukasz,Grela, Karol,Mauduit, Marc. "Activated pyridinium-tagged ruthenium complexes as efficient catalysts for ring-closing metathesis". . p. 5397 - 5405. Retrieved 2007/10/03.