6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine

Base Information

• Chemical Name: 6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
• CAS No.: 30354-91-7
• Molecular Formula: C10H11N5O
• Molecular Weight: 217.23
• Hs Code.: 2933699090
• European Community (EC) Number: 622-596-7
• DSSTox Substance ID: DTXSID00184435
• Nikkaji Number: J1.488.717B
• Wikidata: Q83055354
• Mol file: 30354-91-7.mol

Synonyms:30354-91-7;6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine;2,4-Diamino-6-(4-methoxyphenyl)-1,3,5-triazine;1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-;AI3-60298;2,4-Diamino-6-(4-methoxyphenyl)-s-triazine;C10H11N5O;SCHEMBL669785;DTXSID00184435;WBDWTNWLWBQFJU-UHFFFAOYSA-N;MFCD00889678;STK690082;AKOS005602595;SB73280;LS-148649;2 4-Diamino-6-(4-methoxyphenyl)-1 3 5-;6-(4-Methoxyphenyl)-s-triazine-2,4-diamine;A18603;J-017924;2,4-Diamino-6-(4-methoxyphenyl)-1,3,5-triazine, 97%;4-AMINO-6-(4-METHOXYPHENYL)-1,3,5-TRIAZIN-2-YLAMINE

Chemical Property of 6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine

Chemical Property:

• Vapor Pressure: 7.77E-11mmHg at 25°C
• Melting Point: 231-235 °C(lit.)
• Refractive Index: 1.661
• Boiling Point: 518 °C at 760 mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 267.1 °C
• PSA: 99.94000
• Density: 1.333 g/cm³
• LogP: 1.87400
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 217.09635999
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Diamino-6-(4-methoxyphenyl)-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NC(=NC(=N2)N)N

Technology Process of 6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine

There total 6 articles about 6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine 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: 97.0%

4-methoxybenzonitrile (874-90-8) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 6-(4-methoxyphenyl)-[1,3,5]-triazine-2,4-diamine (30354-91-7)

Guidance literature:

With potassium hydroxide; In pentan-1-ol; at 140 ℃; for 24h;

DOI:10.1021/jo961877c

Reference yield: 89.0%

metformin hydrochloride (1115-70-4) + 4-methoxybenzonitrile (874-90-8) → 6-(4-methoxyphenyl)-[1,3,5]-triazine-2,4-diamine (30354-91-7)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 80 ℃;

Reference yield: 76.0%

2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4) + 4-methoxyphenylboronic acid (5720-07-0) → 6-(4-methoxyphenyl)-[1,3,5]-triazine-2,4-diamine (30354-91-7)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; Heating;

DOI:10.1016/S0040-4020(01)00119-3

upstream raw materials:

4-methoxybenzonitrile

N-Cyanoguanidine

2-Chloro-4,6-diamino-1,3,5-triazine

4-methoxyphenylboronic acid

Downstream raw materials:

N-[4-Isobutyrylamino-6-(4-methoxy-phenyl)-[1,3,5]triazin-2-yl]-isobutyramide

Refernces

• 1、 -. "2,4,6-trisubstituted-1,3,5-s-triazine compound and preparation and application thereof". Paragraph 0028; 0060. . Retrieved 2021/10/05.
• 2、 Sun, Jingwen,Malishev, Ravit,Azoulay, Adi,Tzadikov, Jonathan,Volokh, Michael,Jelinek, Raz,Shalom, Menny. "Carbon and Nitrogen Based Nanosheets as Fluorescent Probes with Tunable Emission". . . Retrieved 2018/05/14.