ChemicalBook--->CAS DataBase List--->40393-99-5

40393-99-5

40393-99-5 Structure

40393-99-5 Structure
IdentificationBack Directory
[Name]

2,4,6-Trimethylbenzylamine
[CAS]

40393-99-5
[Synonyms]

MesitylMethanaMine
RARECHEM AL BW 0351
1-MESITYLMETHANAMINE
1-MESITYLMETHYLAMINE
2,4,6-Trimethylbenzy
1-MesitylMethanaMine, 97%+
2,4,6-TRIMETHYLBENZYLAMINE
2,4,6-Trimethylbenzylamine 97%
2,4,6-Trimethylbenzylamine,99%
2,4,6-TriMethylbenzylaMine, 99% 1GR
[Molecular Formula]

C10H15N
[MDL Number]

MFCD03411013
[MOL File]

40393-99-5.mol
[Molecular Weight]

149.23
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Melting point ]

196-197 °C
[Boiling point ]

98.5-100 °C(Press: 6 Torr)
[density ]

0.943±0.06 g/cm3(Predicted)
[refractive index ]

1.536-1.538
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Liquid
[pka]

9.58±0.10(Predicted)
[color ]

Clear yellow
[InChI]

1S/C10H15N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6,11H2,1-3H3
[InChIKey]

DGSRAILDFBJNQI-UHFFFAOYSA-N
[SMILES]

NCC1=C(C)C=C(C)C=C1C
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Synthesis Reference(s)]

Journal of the American Chemical Society, 78, p. 1653, 1956 DOI: 10.1021/ja01589a043
[Synthesis]

alpha-2-Chloroisodurene

1585-16-6

2,4,6-Trimethylbenzylamine

40393-99-5

A. Synthesis of 2,4,6-trimethylbenzylamine: To a solution of 2,4,6-trimethylbenzyl chloride (5 g, 29.7 mmol) in DMSO (20 mL) was added sodium azide (2.9 g, 44.6 mmol). The reaction mixture was heated at 60 °C with stirring for 3 h. After completion of the reaction, it was cooled to room temperature and poured into water (200 mL). The resulting precipitate was collected by filtration and dissolved in wet THF (50 mL) followed by the addition of triphenylphosphine (15.6 g, 59.4 mmol). The mixture was heated to reflux and maintained for 3 hours. At the end of the reaction, the volatiles were removed by evaporation. The residue was dissolved in 1N HCl (200 mL) and the insoluble material was removed by filtration. The filtrate was alkalized and the resulting precipitate was collected by filtration and finally dried under vacuum to give 2,4,6-trimethylbenzylamine (2.7 g, 61% yield).

[References]

[1] Patent: US6420567, 2002, B1
[2] Journal of the American Chemical Society, 1956, vol. 78, p. 1653,1656
[3] Journal of Medicinal Chemistry, 1999, vol. 42, # 22, p. 4485 - 4499
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
[Hazard Codes ]

C
[Risk Statements ]

34
[Safety Statements ]

45-36/37/39-26
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

29214900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,6-Trimethylbenzylamine(40393-99-5)1HNMR
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