4-Methoxy-3-methylaniline

Base Information

• Chemical Name: 4-Methoxy-3-methylaniline
• CAS No.: 136-90-3
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• Hs Code.: 2922299090
• European Community (EC) Number: 687-346-1
• DSSTox Substance ID: DTXSID20159625
• Nikkaji Number: J10.039K
• Wikidata: Q72490292
• Mol file: 136-90-3.mol

Synonyms:4-Methoxy-3-methylaniline;136-90-3;4-methoxy-3-methylphenylamine;3-Methyl-4-methoxyaniline;4-Amino-2-methylanisole;4-Methoxy-3-methylbenzenamine;Benzenamine, 4-methoxy-3-methyl-;3-Methyl-p-anisidine;137791-98-1;3-Methyl-4-methoxybenzenamine;t-hexyl peroxy-2-ethyl hexanoate;p-Anisidine, 3-methyl-;MFCD07779234;CEFEPIMESULFATE;SCHEMBL245409;4-methoxy-3-methyl-phenylamine;DTXSID20159625;4-Methoxy-3-methylaniline, 98%;BBL101163;STL554959;AKOS005257168;AM84085;CS-W008093;GS-3702;SY045490;BB 0257088;FT-0600111;EN300-51388;10.14272/NFWPZNNZUCPLAX-UHFFFAOYSA-N;doi:10.14272/NFWPZNNZUCPLAX-UHFFFAOYSA-N;W-205491;Z385462626

Chemical Property of 4-Methoxy-3-methylaniline

Chemical Property:

• Melting Point: 57-60 °C
• Refractive Index: 1.5360 (estimate)
• Boiling Point: 240.4 °C at 760 mmHg
• PKA: 5.32±0.10(Predicted)
• Flash Point: 106.1 °C
• PSA: 35.25000
• Density: 1.039 g/cm³
• LogP: 2.16700
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

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

4-Methoxy-3-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N)OC
• Uses: 4-Methoxy-3-methylaniline is used in preparation of triamine pyrimidine derivatives as antitumor agents.

Technology Process of 4-Methoxy-3-methylaniline

There total 14 articles about 4-Methoxy-3-methylaniline 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%

2-methyl-4-nitroanisole (50741-92-9) → 4-methoxy-3-methylaniline (136-90-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 16h; under 760.051 Torr;

Reference yield: 80.0%

2-methylmethoxybenzene (578-58-5) → 4-methoxy-3-methylaniline (136-90-3)

Guidance literature:

2-methylmethoxybenzene; With sulfuric acid; hydroxylamine hydrochloride; In acetonitrile; at 25 ℃; for 0.166667h;

With hydrogenchloride; titanium(III) chloride; In water; acetonitrile; at 25 ℃; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.0c00598

Reference yield: 78.0%

2-methylmethoxybenzene (578-58-5) → bis(4-methoxy-3-methylphenyl)amine + 4-methoxy-3-methylaniline (136-90-3)

Guidance literature:

With 2-nitropropane; phosphoric acid; at 110 ℃;

DOI:10.1039/c5ra17668a

upstream raw materials:

methanol

1-azido-3-methylbenzene

N-(3-methylphenyl)hydroxylamine

2-methyl-4-nitroanisole

Downstream raw materials:

N-(4-methoxy-3-methylphenyl)acetamide

4-hydroxy-2-methylanisole

2-[(4-Methoxy-3-methyl-phenylamino)-methylene]-malonic acid diethyl ester

4-methoxy-3,N,N-trimethyl-aniline

Refernces

• 1、 Bao, Lingxiang,Fei, Teng,Li, Jiazhe,Pang, Siping,Sun, Chenghui,Yan, Zhiyuan,Yu, Zongbao. "Palladium supported on metal–organic framework as a catalyst for the hydrogenation of nitroarenes under mild conditions". . . Retrieved 2020/03/24.
• 2、 Gu, Qiang-Shuai,Yang, Dan. "Enantioselective Synthesis of (+)-Mitomycin K by a Palladium-Catalyzed Oxidative Tandem Cyclization". supporting information. p. 5886 - 5889. Retrieved 2017/05/12.