4-Amino-3-methylbenzaldehyde

Base Information

• Chemical Name: 4-Amino-3-methylbenzaldehyde
• CAS No.: 61594-83-0
• Molecular Formula: C8H9NO
• Molecular Weight: 135.166
• DSSTox Substance ID: DTXSID801308469
• Nikkaji Number: J35.716B
• Mol file: 61594-83-0.mol

Synonyms:4-Amino-3-methylbenzaldehyde;61594-83-0;SCHEMBL4603183;DTXSID801308469;AKOS013498225;CS-0370454

Chemical Property of 4-Amino-3-methylbenzaldehyde

Chemical Property:

• Melting Point: 98-100 °C
• Boiling Point: 286.1±28.0 °C(Predicted)
• PKA: 1.72±0.10(Predicted)
• PSA: 43.09000
• Density: 1.129±0.06 g/cm3(Predicted)
• LogP: 1.97090
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

95% ^*data from raw suppliers

4-Amino-3-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C=O)N

Technology Process of 4-Amino-3-methylbenzaldehyde

There total 6 articles about 4-Amino-3-methylbenzaldehyde 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: 82.0%

2,4-Xylidine (95-68-1) → 4-Amino-3-methylbenzaldehyde (61594-83-0)

Guidance literature:

With hydrogenchloride; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In water; at 20 ℃; for 2h; regiospecific reaction;

DOI:10.1016/j.cclet.2011.03.016

Reference yield:

dimethyl sulfoxide (67-68-5,8070-53-9) + o-toluidine (95-53-4) → 4-Amino-3-methylbenzaldehyde (61594-83-0)

Guidance literature:

With hydrogenchloride; copper dichloride; at 90 ℃; for 6h; Yield given; H⁺ = 0.6 mol dm^-3;

Reference yield:

2,4-dimethylnitrobenzene (89-87-2,156617-89-9,37551-97-6) → 4-Amino-3-methylbenzaldehyde (61594-83-0)

Guidance literature:

With sodium hydroxide; ethanol; sulfur;

upstream raw materials:

pyrimidine-2,4,5,6(1H,3H)-tetraone

o-toluidine

2,4-dimethylnitrobenzene

o-toluidine hydrochloride

Downstream raw materials:

4-hydroxy-3-methyl-benzaldehyde