4-methoxy-2-methyl-N-phenylaniline

Base Information

• Chemical Name: 4-methoxy-2-methyl-N-phenylaniline
• CAS No.: 41317-15-1
• Molecular Formula: C14H15NO
• Molecular Weight: 213.279
• Hs Code.: 2922299090
• European Community (EC) Number: 255-310-0
• UNII: 970C666H5W
• DSSTox Substance ID: DTXSID3029364
• Nikkaji Number: J29.664C
• Wikidata: Q27271944
• ChEMBL ID: CHEMBL1403507
• Mol file: 41317-15-1.mol

Synonyms:4-Methoxy-2-methyldiphenylamine;41317-15-1;4-methoxy-2-methyl-N-phenylaniline;Benzenamine, 4-methoxy-2-methyl-N-phenyl-;Methoxymethyldiphenylamine;4-Methoxy-N-phenyl-o-toluidine;(4-methoxy-2-methylphenyl)phenylamine;3-methoxy-6-anilinotoluene;SMR000069267;MLS000061199;DTXSID3029364;UNII-970C666H5W;EINECS 255-310-0;970C666H5W;DTXCID909364;CAS-41317-15-1;4-Methoxy-2-Methyl Diphenylamine;N-Phenyl-m-cresidine;CBMicro_015444;Cambridge id 5251575;Oprea1_800706;SCHEMBL502786;cid_162461;SCHEMBL9462281;2-methyl-4-methoxydiphenylamine;CHEMBL1403507;BDBM89696;CYMPUOGZUXAIMY-UHFFFAOYSA-;HMS2455F20;6-ANILINO-3-METHOXYTOLUENE;Tox21_201840;Tox21_303502;4-methoxy-2-methyl-N-phenyl-aniline;MFCD00272619;AKOS015851944;CS-W014970;NCGC00072004-02;NCGC00257368-01;NCGC00259389-01;P-ANISIDINE, 2-METHYL-N-PHENYL-;AC-10979;AS-64938;(4-methoxy-2-methyl-phenyl)-phenyl-amine;BIM-0015468.P001;4-methoxy-2-methyldiphenylamine, AldrichCPR;FT-0618878;M1286;N-(2-METHYL-4-METHOXYPHENYL)ANILINE;D70433;AB00076754-01;A825514;SR-01000201091;N-(4-METHOXY-2-METHYLPHENYL)-N-PHENYLAMINE;SR-01000201091-1;W-106310;Q27271944

Chemical Property of 4-methoxy-2-methyl-N-phenylaniline

Chemical Property:

• Vapor Pressure: 6.5E-05mmHg at 25°C
• Melting Point: 80-83 °C
• Refractive Index: 1.601
• Boiling Point: 344.6 °C at 760 mmHg
• PKA: 1.35±0.40(Predicted)
• Flash Point: 140.1 °C
• PSA: 21.26000
• Density: 1.089 g/cm³
• LogP: 3.82020
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: almost transparency in Toluene
• Water Solubility.: 16.79mg/L at 25℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 213.115364102
• Heavy Atom Count: 16
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxy-2-methyldiphenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2
• Description: Methoxymethyldiphenylamine is a useful research chemical.
• Uses: Methoxymethyldiphenylamine is a synthetic organic chemical used in the production of black color formers.

Technology Process of 4-methoxy-2-methyl-N-phenylaniline

There total 17 articles about 4-methoxy-2-methyl-N-phenylaniline 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: 99.0%

chlorobenzene (108-90-7) + 2-methyl-4-methoxyaniline (102-50-1) → 4-phenylamino-3-methyl-1-methoxybenzene (41317-15-1)

Guidance literature:

With C₅₀H₇₂ClPPd; 2,6-bis(2,4,6-triisopropylphenyl)phenyldicyclohexylphosphine; potassium carbonate; In tert-butyl alcohol; at 100 ℃; for 3h;

DOI:10.1016/j.jcat.2021.08.017

Reference yield: 98.0%

→ 4-phenylamino-3-methyl-1-methoxybenzene (41317-15-1)

Guidance literature:

With [(2,6-bis(2,4,6-triisopropylphenyl)phenyl)dicyclohexylphosphine](allyl-η³)palladium(II) chloride; potassium hydrogencarbonate; In tert-butyl alcohol; at 100 ℃; for 12h; Inert atmosphere; Sealed tube;

Reference yield: 96.0%

1-chloro-4-methoxy-2-methylbenzene (13334-71-9) + aniline (62-53-3) → 4-phenylamino-3-methyl-1-methoxybenzene (41317-15-1)

Guidance literature:

With potassium phosphate; aniline; triphenylphosphine; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; at 184 ℃; for 8h;

DOI:10.1016/j.tet.2005.03.139

upstream raw materials:

bromobenzene

N-(4-methoxy-2-methylphenyl)acetamide

4-bromo-3-methylanisole

aniline

Downstream raw materials:

2'-anilino-3'-methyl-6'-(dibutylamino)spiro[isobenzofuran-1(3H),9'-(9H)xanthen]-3-one

3-methyl-4-(phenylimino)cyclohexa-2,5-dienone

Refernces

• 1、 -. "Preparation method of secondary aromatic amine". Paragraph 0024. . Retrieved 2021/03/31.
• 2、 -. "Preparation method and application of 2-methyl-4-methoxydiphenylamine". Paragraph 0070-0098. . Retrieved 2021/06/23.