4-Aminobenzaldehyde

Base Information

• Chemical Name: 4-Aminobenzaldehyde
• CAS No.: 556-18-3
• Molecular Formula: C7H7NO
• Molecular Weight: 121.139
• European Community (EC) Number: 209-115-2
• NSC Number: 60117,45163
• UNII: 74Q1671TS1
• DSSTox Substance ID: DTXSID3060299
• Nikkaji Number: J38.172A
• Wikidata: Q21099246
• Metabolomics Workbench ID: 125250
• ChEMBL ID: CHEMBL1885510
• Mol file: 556-18-3.mol

Synonyms:4-aminobenzaldehyde

Chemical Property of 4-Aminobenzaldehyde

Chemical Property:

• Appearance/Colour: Yellow crystalline powder
• Melting Point: 77-79 °C
• Refractive Index: 1.5323 (estimate)
• Boiling Point: 278.101 °C at 760 mmHg
• PKA: 1.88±0.10(Predicted)
• Flash Point: 121.991 °C
• PSA: 43.09000
• Density: 1.172 g/cm³
• LogP: 1.66250
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.052763847
• Heavy Atom Count: 9
• Complexity: 95.1

Purity/Quality:

99% ^*data from raw suppliers

4-aminobenzaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-43-22
• Safety Statements: 26-36/37/39-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)N
• Description: 4-Aminobenzaldehyde can be made into polymer with a certain conductivity and corrosion resistance, and the combination of stainless steel is better than the epoxy resin. It can be used as intermediate of pharmaceutical and dye. It is also used in organic synthesis. Additionally, it can react with Carbonyl dichloride to get 4-Formylphenyl isocyanate.

Technology Process of 4-Aminobenzaldehyde

There total 96 articles about 4-Aminobenzaldehyde 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%

4-aminobenzenemethanol (623-04-1) → 4-aminobenzaldehyde (556-18-3,28107-09-7)

Guidance literature:

With silica-supported Jones reagent; In dichloromethane; for 0.00269444h;

DOI:10.1016/j.tetlet.2006.05.157

Reference yield: 98.8%

4-nitrobenzyl chloride (619-73-8) → 4-aminobenzaldehyde (556-18-3,28107-09-7)

Guidance literature:

4-nitrobenzyl chloride; With potassium sulfate; lead dioxide; at 37 ℃; for 1.5h;

With nickel dichloride; In cyclohexane; at 9 - 56 ℃; for 5.66667h; Temperature;

Reference yield: 90.0%

p-toluidine (106-49-0,12221-03-3) → 4-aminobenzaldehyde (556-18-3,28107-09-7)

Guidance literature:

With tert.-butylhydroperoxide; In water; at 60 ℃; for 2.5h; Green chemistry;

DOI:10.1039/c5nj03413b

upstream raw materials:

4-nitrobenzyl chloride

N-(4-nitrobenzyl)aniline

1-methyl-4-nitrobenzene

4-aminobenzaldehyde oxime

Downstream raw materials:

2-bromo-N-(4-formylphenyl)acetamide

N-(4-formyl-phenyl)-succinamic acid

4-[(E)-2-(2-quinolinyl)ethenyl]aniline

(5Z)-5-(4-aminobenzylidene)-1,3-thiazolidine-2,4-dione

Refernces

• 1、 Mousavi, Davoud,Ardakani, Mehdi Hatefi,Saeednia, Samira,Sabet, Mohammad. "Solvent-free selective oxidation of alcohols with tert-butyl hydroperoxide catalyzed by palladium(II) isatin Schiff base complex supported into three-dimensional mesoporous silica KIT-6". . p. 1105 - 1121. Retrieved 2020/11/17.
• 2、 Chen, Changdong,Lu, Caiyun,Sun, Chengxin,Wang, Fangfang,Yin, Zhengfeng. "Photocatalytic reduction of nitroaromatics into anilines using CeO2-TiO2 nanocomposite". . . Retrieved 2021/08/19.