Di-m-tolylamine

Base Information

• Chemical Name: Di-m-tolylamine
• CAS No.: 626-13-1
• Molecular Formula: C14H15 N
• Molecular Weight: 197.28
• Hs Code.: 2921499090
• European Community (EC) Number: 678-912-9
• DSSTox Substance ID: DTXSID20426804
• Nikkaji Number: J29.937E
• Wikidata: Q72469888
• Mol file: 626-13-1.mol

Synonyms:Di-m-tolylamine;626-13-1;3,3'-Dimethyldiphenylamine;m,m'-Ditolylamine;Dim-tolylamine;3-methyl-N-(3-methylphenyl)aniline;bis(3-methylphenyl)amine;Benzenamine, 3-methyl-N-(3-methylphenyl)-;MFCD00059315;3,3 inverted exclamation mark -Dimethyldiphenylamine;Di-m-tolyl-amine;3,3'-Ditolylamine;N,N-Bis(3-methylphenyl)amine;SCHEMBL1009206;DTXSID20426804;AMY33507;AKOS016009711;CS-W010562;3-Methyl-N-(3-methylphenyl)-benzenamine;AS-37665;SY049123;D1512;FT-0659082;A833881

Chemical Property of Di-m-tolylamine

Chemical Property:

• Appearance/Colour: Sightly viscous liquid
• Melting Point: 129~131℃
• Refractive Index: 1.6225
• Boiling Point: 200 °C
• PKA: 1.15±0.50(Predicted)
• Flash Point: 200°C/24mm
• PSA: 12.03000
• Density: 1.04
• LogP: 4.12000
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.120449483
• Heavy Atom Count: 15
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Di-m-Tolylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-26/36/37-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)NC2=CC=CC(=C2)C

Technology Process of Di-m-tolylamine

There total 16 articles about Di-m-tolylamine 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: 94.0%

3-Iodotoluene (625-95-6) → 3,3'-ditolylamine (626-13-1)

Guidance literature:

With potassium phosphate; copper(l) iodide; lithium amide; In N,N-dimethyl-formamide; at 130 ℃; for 24h; chemoselective reaction; Inert atmosphere;

DOI:10.1039/c2cc32252h

Reference yield: 88.0%

3-methylcyclohexen-2-one (1193-18-6) + 1-amino-3-methylbenzene (108-44-1) → 3,3'-ditolylamine (626-13-1)

Guidance literature:

With hydrogenchloride; iodine; dimethyl sulfoxide; In N,N,N,N,N,N-hexamethylphosphoric triamide; water; at 110 ℃; for 20h; Schlenk technique; Sealed tube; Green chemistry;

DOI:10.1039/c8cc05320k

Reference yield: 83.0%

3-methyl-phenol (108-39-4) → 3,3'-ditolylamine (626-13-1)

Guidance literature:

With palladium on activated carbon; ammonium formate; lithium hydroxide; In m-xylene; at 170 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1002/cssc.201900928

upstream raw materials:

3-methyl-phenol

meta-bromotoluene

1-amino-3-methylbenzene

3-tolyl triflate

Downstream raw materials:

(4'-Iodo-biphenyl-4-yl)-di-m-tolyl-amine

2,7-dimethyl-9H-carbazole

3-methyl-phenol

Refernces

• 1、 Levitskiy, Oleg A.,Magdesieva, Tatiana V.. "Amination of Aryl Boronic Acids with Alkylnitrites: A Convenient Complement to Cu-Promoted Reductive Amination". . p. 10028 - 10032. Retrieved 2019/12/24.
• 2、 Xiong, Mingteng,Gao, Zhan,Liang, Xiao,Cai, Pengfei,Zhu, Heping,Pan, Yuanjiang. "Iodine-catalyzed synthesis of N, N ′-diaryl-o-phenylenediamines from cyclohexanones and anilines using DMSO and O2 as oxidants". supporting information. p. 9679 - 9682. Retrieved 2018/09/10.