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N-[(2,4-Dimethoxyphenyl)methyl]-2,4-dimethoxybenzenemethanamine

N-[(2,4-Dimethoxyphenyl)methyl]-2,4-dimethoxybenzenemethanamine structure

CAS No:
20781-23-1
Formula:
C18H23NO4
Chemical Name:
N-[(2,4-Dimethoxyphenyl)methyl]-2,4-dimethoxybenzenemethanamine
Synonyms:
Benzenemethanamine,N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-;Dibenzylamine,2,2′,4,4′-tetramethoxy-;N-[(2,4-Dimethoxyphenyl)methyl]-2,4-dimethoxybenzenemethanamine;Bis(2,4-dimethoxybenzyl)amine;1-(2,4-Dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine

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N-[(2,4-Dimethoxyphenyl)methyl]-2,4-dimethoxybenzenemethanamine Basic Attributes

Molecular Weight：

317.38

Exact Mass：

317.38

EC Number：

244-037-2

DSSTox ID：

DTXSID00174871

HScode：

2922299090

Characteristics

PSA：

XLogP3：

2.7

Density：

1.1±0.1 g/cm3

Boiling Point：

443.5°C at 760 mmHg

Flash Point：

188.7±16.8 °C

Refractive Index：

1.542

Vapor Pressure：

4.6E-08mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

N-[(2,4-Dimethoxyphenyl)methyl]-2,4-dimethoxybenzenemethanamine Use and Manufacturing

2, 4-dimethoxybenzaidehyde (Sigma Aldrich; 1.1 g, 661 mmoi) wasdissolved in 20 rnL THF at ambient temperature. To the solution was added 2, 4- dimethoxybenzyiamine (Sigma Aldrich; 1.5 rnL, 9.98 mrnol) followed by sodium triacetoxyborohydride (Sigma Aldrich; 1 7 g; 8.4 inmol) and the mixture(increasingly cloudy) was stirred at ambient temperature overnight. The mixturewas then diluted with sat. NaHCO3 and extracted with EtOAc, dried over MgSO4and concentrated. The residue was purified by chromatography on 40 g ISCOcolumn eluting with a gradient of 0 to 100percent EtOAc to deliver bis(2, 4-dimethoxybenzyi)amine (2.08 g, 6.55 mrnol, 99percent yield, 96percent purity)A)

Computed Properties

Molecular Weight:317.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:317.16270821
Monoisotopic Mass:317.16270821
Topological Polar Surface Area:49
Heavy Atom Count:23
Complexity:298
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(2,4-Dimethoxyphenyl)methyl]-2,4-dimethoxybenzenemethanamine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

N-[(2,4-Dimethoxyphenyl)methyl]-2,4-dimethoxybenzenemethanamine

SDS

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