6-(chloromethyl)-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

Base Information

• Chemical Name: 6-(chloromethyl)-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
• CAS No.: 99860-36-3
• Molecular Formula: C11H12 Cl N5
• Molecular Weight: 249.7
• Hs Code.: 2933699090
• DSSTox Substance ID: DTXSID10359071
• Wikidata: Q82140078
• ChEMBL ID: CHEMBL1364913
• Mol file: 99860-36-3.mol

Synonyms:6-(chloromethyl)-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;99860-36-3;6-(chloromethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;MLS000332923;6-(chloromethyl)-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-Chloromethyl-N-p-tolyl-[1,3,5]triazine-2,4-diamine;SMR000436245;6-(Chloromethyl)-N2-(p-tolyl)-1,3,5-triazine-2,4-diamine;cid_935910;CHEMBL1364913;BDBM47464;DTXSID10359071;NDCXQFXHUZSBIB-UHFFFAOYSA-N;HMS2810G05;KUC105499N;BBL008439;KSC-16-26;MFCD03941302;STK139122;STL048728;AKOS000270240;AKOS005702003;SB73291;VS-01913;EN300-10945;SR-01000060251;SR-01000060251-1;Z57044212;[4-amino-6-(chloromethyl)-s-triazin-2-yl]-(p-tolyl)amine;3-AMINO-3-(2,5-DIMETHOXYFURAN-3-YL)-PROPIONICACID;1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N(2)-(4-methylphenyl)-;(4Z)-6-(chloromethyl)-4-[(4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine

Chemical Property of 6-(chloromethyl)-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

Chemical Property:

• Vapor Pressure: 1.7E-09mmHg at 25°C
• Boiling Point: 483.3°Cat760mmHg
• Flash Point: 246.1°C
• PSA: 76.72000
• Density: 1.376g/cm³
• LogP: 2.89880
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 249.0781231
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

6-(Chloromethyl)-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl

Technology Process of 6-(chloromethyl)-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

There total 3 articles about 6-(chloromethyl)-N-(4-methylphenyl)-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:

p-Tolylbiguanide hydrochloride (19579-43-2,42823-10-9,55307-38-5) + chloroacetic acid ethyl ester (105-39-5) → 6-chloromethyl-N-p-tolyl-[1,3,5]triazine-2,4-diamine (99860-36-3)

Guidance literature:

p-Tolylbiguanide hydrochloride; With sodium methylate; In methanol; at 20 ℃; for 3h;

chloroacetic acid ethyl ester; In methanol; at 20 ℃; for 48h;

DOI:10.1007/s00044-011-9574-8

Reference yield:

p-toluidine (106-49-0,12221-03-3) → 6-chloromethyl-N-p-tolyl-[1,3,5]triazine-2,4-diamine (99860-36-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / water / Reflux

2.1: sodium methylate / methanol / 3 h / 20 °C

2.2: 48 h / 20 °C

With hydrogenchloride; sodium methylate; In methanol; water;

DOI:10.1007/s00044-011-9574-8

Reference yield:

→ 6-chloromethyl-N-p-tolyl-[1,3,5]triazine-2,4-diamine (99860-36-3)

Guidance literature:

1. 10n-NaOH, N1-p-Tolyl-biguanid-hydrochlorid, wss. Acetonitril, 2. Chloracetylchlorid, Acetonitril, 10grad, 2 h, Ausb. 61percent;

DOI:10.1021/jo01060a015

upstream raw materials:

p-Tolylbiguanide hydrochloride

chloroacetic acid ethyl ester

p-toluidine

Downstream raw materials:

6-[(1H-benzo[d]imidazol-2-ylthio)methyl]-N₂-p-tolyl-1,3,5-triazine-2,4-diamine

6-[(5-methyl-1H-benzo[d]imidazol-2-ylthio)methyl]-N₂-p-tolyl-1,3,5-triazine-2,4-diamine

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