n1,n1,6-Trimethylbenzene-1,3-diamine

Base Information

• Chemical Name: n1,n1,6-Trimethylbenzene-1,3-diamine
• CAS No.: 6406-67-3
• Molecular Formula: C9H14N2
• Molecular Weight: 150.224
• Hs Code.: 2921519090
• European Community (EC) Number: 801-766-6
• DSSTox Substance ID: DTXSID20356955
• Wikidata: Q82136602
• Mol file: 6406-67-3.mol

Synonyms:n1,n1,6-trimethylbenzene-1,3-diamine;6406-67-3;3-N,N-dimethylamino-p-toluidine;3-N,3-N,4-trimethylbenzene-1,3-diamine;(5-amino-2-methylphenyl)dimethylamine;N3,N3,4-trimethyl-1,3-benzenediamine;1,3-Benzenediamine, N3,N3,4-trimethyl-;SCHEMBL865227;4-amino-2-dimethylaminotoluene;3-dimethylamino-4-methylaniline;DTXSID20356955;BZFRCCRHMACPGO-UHFFFAOYSA-N;HMS1675M21;MFCD00462578;4,n,n-trimethyl-benzene-1,3-diamine;AKOS011881733;SB76345;n3,n3,4-trimethylbenzene-1,3-diamine;BS-38351;1-N,1-N,6-trimethylbenzene-1,3-diamine;BB 0220612;CS-0279690;FT-0693694;EC-000.1718;EN300-105608

Chemical Property of n1,n1,6-Trimethylbenzene-1,3-diamine

Chemical Property:

• Vapor Pressure: 0.0226mmHg at 25°C
• Refractive Index: 1.595
• Boiling Point: 249.7 °C at 760 mmHg
• Flash Point: 93.9 °C
• PSA: 29.26000
• Density: 1.029 g/cm³
• LogP: 2.22440
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.115698455
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

98% ^*data from raw suppliers

N1,N1,6-Trimethylbenzene-1,3-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N)N(C)C
• Uses: N1,N1,6-Trimethylbenzene-1,3-diamine is an intermediate in the synthesis of Roseoflavin (R685000), an analog known to compete with Riboflavin in Lactobacillus casei. Riboflavin kinase substrate and inhibitor.

Technology Process of n1,n1,6-Trimethylbenzene-1,3-diamine

There total 1 articles about n1,n1,6-Trimethylbenzene-1,3-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:

2,N,N-trimethyl-5-nitro-aniline (36714-84-8) → N1,N1,6-trimethylbenzene-1,3-diamine (6406-67-3)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

Reference yield: 74.0%

bromoacetic acid tert-butyl ester (5292-43-3) + N1,N1,6-trimethylbenzene-1,3-diamine (6406-67-3) → tert-butyl 2-((3-(dimethylamino)-4-methylphenyl)amino)acetate

Guidance literature:

With caesium carbonate; In acetonitrile; for 18h; Reagent/catalyst; Solvent;

Reference yield: 65.0%

N-(4-methyl-3-(1-methyl-7-(methylsulfonyl)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)-benzamide (839705-68-9) + N1,N1,6-trimethylbenzene-1,3-diamine (6406-67-3) → N-(3-(7-(3-(dimethylamino)-4-methylphenylamino)-1-methyl-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide

Guidance literature:

With trifluoroacetic acid; In 1,4-dioxane; at 120 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b01618

upstream raw materials:

2,N,N-trimethyl-5-nitro-aniline

Downstream raw materials:

3-dimethylamino-4-methylphenol

acetic acid-(3-dimethylamino-4-methyl-anilide)

2,7,N³,N³,N⁶,N⁶-hexamethyl-9-phenyl-acridine-3,6-diyldiamine

acridine yellow G