2,4-Diaminoanisole

Base Information

• Chemical Name: 2,4-Diaminoanisole
• CAS No.: 615-05-4
• Molecular Formula: C7H10 N2 O
• Molecular Weight: 138.169
• Hs Code.: 2922299090
• European Community (EC) Number: 210-406-1
• ICSC Number: 1578
• UN Number: 2811,3077
• UNII: 86SSM2N1X7
• DSSTox Substance ID: DTXSID5041358
• Nikkaji Number: J3.000G
• Wikidata: Q20983436
• ChEMBL ID: CHEMBL3302060
• Mol file: 615-05-4.mol

Synonyms:2,4-diaminoanisole;2,4-diaminoanisole sulfate;4-methoxy-1,3-phenylenediamine;4-methoxy-3-phenylenediamine;4-methoxy-3-phenylenediamine dihydrochloride;4-methoxy-3-phenylenediamine sulfate;4-methoxy-3-phenylenediamine sulfate (1:1);4-methoxy-m-phenylenediamine sulfate;m-diaminoanisole sulfate

Chemical Property of 2,4-Diaminoanisole

Chemical Property:

• Vapor Pressure: 0.00266mmHg at 25°C
• Melting Point: 66-68oC
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 286.3oC at 760 mmHg
• PKA: 5.19±0.10(Predicted)
• Flash Point: 148.5°C
• PSA: 61.27000
• Density: 1.17g/cm3
• LogP: 2.02200
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.079312947
• Heavy Atom Count: 10
• Complexity: 108
• Transport DOT Label: Poison

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,?4-?Diaminoanisole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 45-22-51/53-68
• Safety Statements: 53-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: COC1=C(C=C(C=C1)N)N
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Long Term Exposure: This substance is possibly carcinogenic to humans.
• Uses: 2,4-Diaminoanisole may be used as an analytical reference standard for the determination of the analyte in:Mainstream waterpipe smoke using liquid chromatography-electrospray ionization-tandem mass spectrometry (LC-ESI-MS/MS).Haircolor products by high performance liquid chromatography (HPLC).

Technology Process of 2,4-Diaminoanisole

There total 12 articles about 2,4-Diaminoanisole 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-methoxy-aniline (104-94-9) → 2,4-Diaminoanisole (615-05-4)

Guidance literature:

With titanium(IV) sulfate; sulfuric acid; hydroxylamine; In water; at 40 ℃; Electrolysis; Inert atmosphere;

DOI:10.1134/S1070363217010042

Reference yield: 100.0%

2,4-dinitroanisole (119-27-7) → 2,4-Diaminoanisole (615-05-4)

Guidance literature:

With hydrogen; In methanol; at 60 ℃; under 4500.45 Torr; pH=9; pH-value; Temperature; Pressure;

Reference yield: 100.0%

2-methoxy-phenylamine (90-04-0) → 2,4-Diaminoanisole (615-05-4)

Guidance literature:

With titanium(IV) sulfate; sulfuric acid; hydroxylamine; In water; at 40 ℃; Electrolysis; Inert atmosphere;

DOI:10.1134/S1070363217010042

upstream raw materials:

2,4-dinitroanisole

2,4-dibromoanisole

4-methoxy-aniline

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

4-methoxy-6-phenylazo-m-phenylenediamine

2,4-Bis-dimethylamino-phenol

4-methoxy-N¹-(4-methylacridin-9-yl)benzene-1,3-diamine

ethyl N-(3-ethoxycarbonylamino-4-methoxyphenyl)carbamate

Refernces

• 1、 See, Yi Yang,Sanford, Melanie S.. "C-H Amination of Arenes with Hydroxylamine". supporting information. p. 2931 - 2934. Retrieved 2020/04/09.
• 2、 -. "Process for synthesizing 2-amino-4-acetylaminoanisole". Paragraph 0058; 0064; 0069-0070; 0076. . Retrieved 2019/05/08.