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2,2'-[(4-Methylphenyl)imino]bisethanol
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Name

2,2'-[(4-Methylphenyl)imino]bisethanol

 EINECS 221-359-1
CAS No. 3077-12-1 Density 1.137 g/cm3
PSA 43.70000 LogP 0.78600
Solubility 19.8g/L at 20℃ Melting Point 49-53 °C(lit.)
Formula C11H17NO2 Boiling Point 339 °C at 760 mmHg
Molecular Weight 195.261 Flash Point 208.9 °C
Transport Information N/A Appearance colorless to pale yellow solid
Safety 26-36-61-39 Risk Codes 36/37/38-52/53-41-37/38-22
Molecular Structure Molecular Structure of 3077-12-1 (2,2'-(P-TOLYLIMINO)DIETHANOL) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

Ethanol,2,2'-(p-tolylimino)di- (6CI,7CI,8CI);2,2'-(p-Tolylimino)diethanol;Diethylol-p-toluidine;N,N-Bis(2-hydroxyethyl)-4-methylaniline;N,N-Bis(2-hydroxyethyl)-4-toluidine;N,N-Bis(2-hydroxyethyl)-p-toludine;N,N-Bis(2-hydroxyethyl)-p-toluidine;N,N-Bis(b-hydroxyethyl)-p-toluidine;N,N-Di(b-hydroxyethyl)-p-toluidine;N,N-Diethanol-p-methylphenylamine;N,N-Diethanol-p-toluidine;N-(4-Methylphenyl)diethanolamine;N-(p-Methylphenyl)-N,N-diethanolamine;N-(p-Methylphenyl)diethanolamine;N-p-Tolyldiethanolamine;NSC 103354;PT 2HE;Plexilith 492;

Article Data 9

2,2'-[(4-Methylphenyl)imino]bisethanol Synthetic route

96-49-1

[1,3]-dioxolan-2-one

106-49-0

p-toluidine

A

2933-74-6

2-[(4-methylphenyl)amino]-ethanol

B

3077-12-1

N,N-bis-(2-hydroxyethyl)-P-toluidine

Conditions
ConditionsYield
With Na-Y zeolite In Triethylene glycol dimethyl ether for 1.5h; Heating;A 86%
B 9 % Chromat.
With tri-i-butyl(methyl)phosphonium tosylate at 150℃; for 18h; Ionic liquid; Neat (no solvent);A n/a
B 70%
75-21-8

oxirane

106-49-0

p-toluidine

A

2933-74-6

2-[(4-methylphenyl)amino]-ethanol

B

3077-12-1

N,N-bis-(2-hydroxyethyl)-P-toluidine

Conditions
ConditionsYield
man trennt die Basen durch Destillation;
75-21-8

oxirane

106-49-0

p-toluidine

3077-12-1

N,N-bis-(2-hydroxyethyl)-P-toluidine

75-21-8

oxirane

106-49-0

p-toluidine

A

2933-74-6

2-[(4-methylphenyl)amino]-ethanol

B

3077-12-1

N,N-bis-(2-hydroxyethyl)-P-toluidine

C

3367-48-4

1,4-bis(4-methylphenyl)piperazine

Conditions
ConditionsYield
at 25℃; anschliessend man destilliert das Reaktionsprodukt;
106-49-0

p-toluidine

107-07-3

2-chloro-ethanol

3077-12-1

N,N-bis-(2-hydroxyethyl)-P-toluidine

Conditions
ConditionsYield
With water; calcium carbonate
75-21-8

oxirane

106-49-0

p-toluidine

A

2933-74-6

2-[(4-methylphenyl)amino]-ethanol

B

N-oxyethyl-N-(hydroxyethyloxyethylen)-tolyl-4-amine

C

3077-12-1

N,N-bis-(2-hydroxyethyl)-P-toluidine

Conditions
ConditionsYield
With 1-amino-3-methylbenzene at 120℃; for 15h;
75-21-8

oxirane

106-49-0

p-toluidine

A

N-oxyethyl-N-(hydroxyethyloxyethylen)-tolyl-4-amine

B

3077-12-1

N,N-bis-(2-hydroxyethyl)-P-toluidine

Conditions
ConditionsYield
With sodium methylate at 120 - 140℃; under 1050.11 - 1882.69 Torr; for 15h; Product distribution / selectivity;
With sodium methylate; 1-amino-3-methylbenzene at 120℃; under 1050.11 - 1882.69 Torr; for 15h; Product distribution / selectivity;
With sodium hydroxide at 120℃; under 1050.11 - 1882.69 Torr; for 15h; Product distribution / selectivity;
3077-12-1

N,N-bis-(2-hydroxyethyl)-P-toluidine

30880-19-4

(dimethylamino)dimethylarsine

Dimethylarsinigsaeure-(3-p-tolyl-3-aza-pentan-1,5-diyl)ester

Conditions
ConditionsYield
In diethyl ether Heating;95%
41813-33-6

Bis(dimethylamino)methylarsan

3077-12-1

N,N-bis-(2-hydroxyethyl)-P-toluidine

2-Methyl-6-p-tolyl-(1,3,6,2)dioxarsocan

Conditions
ConditionsYield
In diethyl ether Heating;90%
6596-96-9

tri(dimethylamino)arsenic

3077-12-1

N,N-bis-(2-hydroxyethyl)-P-toluidine

Dimethyl-(6-p-tolyl-(1,3,6,2)dioxarsocan-2-yl)amin

Conditions
ConditionsYield
In diethyl ether Heating;90%

2,2'-[(4-Methylphenyl)imino]bisethanol Specification

The N,N-Dihydroxyethyl-p-toluidine is an organic compound with the formula C11H17NO2. The IUPAC name of this chemical is 2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol. With the CAS registry number 3077-12-1, it is also named as 2,2'-[(4-Methylphenyl)imino]diethanol. Besides, it should be stored in a closed cool and dry place. It is used as dye intermediates, pharmaceutical intermediates and unsaturated resin accelerator.

Physical properties about N,N-Dihydroxyethyl-p-toluidine are: (1)ACD/LogP: 1.27 ; (2)ACD/LogD (pH 5.5): 0.74; (3)ACD/LogD (pH 7.4): 1.26; (4)ACD/BCF (pH 5.5): 1.61; (5)ACD/BCF (pH 7.4): 5.28; (6)ACD/KOC (pH 5.5): 34.53; (7)ACD/KOC (pH 7.4): 113.6; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 57.72 cm3; (14)Molar Volume: 171.7 cm3; (15)Polarizability: 22.88×10-24cm3; (16)Surface Tension: 51.4 dyne/cm; (17)Density: 1.137 g/cm3; (18)Flash Point: 208.9 °C; (19)Enthalpy of Vaporization: 61.47 kJ/mol; (20)Boiling Point: 339 °C at 760 mmHg; (21)Vapour Pressure: 3.68E-05 mmHg at 25°C.

Uses of N,N-Dihydroxyethyl-p-toluidine: it can be used to produce 2-methyl-6-p-tolyl-[1,3,6,2]dioxazarsocane bt heating. It will need solvent diethyl ether. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable protective clothing and eye/face protection and avoid release to the environment. Refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(c1ccc(cc1)C)CCO
(2)InChI: InChI=1/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
(3)InChIKey: JUVSRZCUMWZBFK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
(5)Std. InChIKey: JUVSRZCUMWZBFK-UHFFFAOYSA-N

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