2-Methyl-4-propoxyaniline

Base Information

• Chemical Name: 2-Methyl-4-propoxyaniline
• CAS No.: 857007-46-6
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.235
• Hs Code.: 2922299090
• European Community (EC) Number: 858-483-6
• Mol file: 857007-46-6.mol

Synonyms:2-methyl-4-propoxyaniline;857007-46-6;SCHEMBL10187313;NATPSDRPRXUTKZ-UHFFFAOYSA-N;AKOS000143952;2-methyl-4-propoxyaniline, AldrichCPR;MCULE-5226983491;CS-0250582;EN300-51439;G36567;Z239604814

Chemical Property of 2-Methyl-4-propoxyaniline

Chemical Property:

• Boiling Point: 281.4±20.0 °C(Predicted)
• PKA: 5.09±0.10(Predicted)
• PSA: 35.25000
• Density: 1.001±0.06 g/cm3(Predicted)
• LogP: 2.94720
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

98%min ^*data from raw suppliers

2-methyl-4-propoxyaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC(=C(C=C1)N)C

Technology Process of 2-Methyl-4-propoxyaniline

There total 3 articles about 2-Methyl-4-propoxyaniline 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: 85.0%

2-methyl-4-propoxy-1-nitrobenzene (52177-07-8) → 2-methyl-4-propoxyaniline (857007-46-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; ethyl acetate; for 4h; under 1810.07 Torr; Inert atmosphere;

DOI:10.1021/jm501997q

Reference yield:

3-methyl-4-nitrophenol (2581-34-2,910311-23-8) → 2-methyl-4-propoxyaniline (857007-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / butanone / 0.08 h / Inert atmosphere; Reflux

1.2: 18 h / Inert atmosphere

2.1: palladium 10% on activated carbon; hydrogen / methanol; ethyl acetate / 4 h / 1810.07 Torr / Inert atmosphere

With palladium 10% on activated carbon; hydrogen; potassium carbonate; In methanol; ethyl acetate; butanone;

DOI:10.1021/jm501997q

Reference yield:

→ 2-methyl-4-propoxyaniline (857007-46-6)

Guidance literature:

/BRN= 3238279/;

DOI:10.1002/hlca.19510340131

upstream raw materials:

3-methyl-4-nitrophenol

2-methyl-4-propoxy-1-nitrobenzene

Downstream raw materials:

chloro-acetic acid-(2-methyl-4-propoxy-anilide)

Refernces