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3-(Dibutylamino)phenol
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Name

3-(Dibutylamino)phenol

 EINECS N/A
CAS No. 43141-69-1 Density 0.984 g/cm3
PSA 23.47000 LogP 3.79880
Solubility N/A Melting Point N/A
Formula C14H23NO Boiling Point 348.736 °C at 760 mmHg
Molecular Weight 221.343 Flash Point 157.112 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 43141-69-1 (3-(Dibutylamino)phenol) Hazard Symbols N/A
Synonyms

N,N-Dibutyl-3-aminophenol;m-(Dibutylamino)phenol;3-(N,N-Dibutylamino)phenol;3-Hydroxy-N,N-dibutylaniline;N,N-Di-n-butyl-m-aminophenol;N,N-Dibutyl-m-aminophenol;

Article Data 15

3-(Dibutylamino)phenol Synthetic route

208340-01-6

N,N-dibutyl-3-aminoaniline

43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With sulfuric acid; sodium nitrite In water at 3 - 70℃; for 8h;95.6%
Stage #1: m-amino-N,N-dibutylaniline With sulfuric acid In water at 0℃; Green chemistry;
Stage #2: With sodium nitrite In water at 0 - 10℃; for 8h; Green chemistry;
Stage #3: With sulfuric acid In water at 58℃; for 0.0666667h; Green chemistry;		95.2%
With sulfuric acid; sodium nitrite In water at -5 - 60℃; for 18h; Temperature;95.4%
109-65-9

1-bromo-butane

591-27-5

m-Hydroxyaniline

43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With sodium carbonate In water; isopropyl alcohol Reflux;83%
108-43-0

3-monochlorophenol

111-92-2

dibutylamine

43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Stage #1: 3-monochlorophenol; dibutylamine With lithium hexamethyldisilazane; CyJohnPhos; tris(dibenzylideneacetone)dipalladium (0) In tetrahydrofuran at 65℃; for 24h;
Stage #2: With hydrogenchloride In tetrahydrofuran at 20℃; for 0.0833333h; Further stages.;		72%

C14H22NO(1-)*Na(1+)

43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With nitric acid for 1.5h; Reagent/catalyst;69.3%
99-65-0

meta-dinitrobenzene

110-62-3

pentanal

100-51-6

benzyl alcohol

43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Stage #1: meta-dinitrobenzene; benzyl alcohol With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 24h;
Stage #2: pentanal With 5%-palladium/activated carbon; hydrogen; acetic acid In ethanol at 50 - 60℃; under 11251.1 - 15001.5 Torr; for 12h; pH=5 - 6; Reagent/catalyst; Temperature;		43%
34874-62-9

N-(3-methoxyphenyl)-di-n-butylamine

43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With boron tribromide In dichloromethane at 20℃; for 10h; Cooling with ice;36.1%
126-73-8

phosphoric acid tributyl ester

591-27-5

m-Hydroxyaniline

43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With sodium hydroxide 1) 210 deg C, 2.5h, 2) 80 deg C; Yield given. Multistep reaction;
109-65-9

1-bromo-butane

58494-81-8

3-(N-n-butylamino)phenol

43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With sodium hydroxide; sodium carbonate In water
2398-37-0

3-methoxyphenyl bromide

43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium t-butanolate; palladium diacetate; tri tert-butylphosphoniumtetrafluoroborate / toluene / 5 h / Reflux; Inert atmosphere
2: boron tribromide / dichloromethane / 10 h / 20 °C / Cooling with ice
View Scheme
111-92-2

dibutylamine

43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium t-butanolate; palladium diacetate; tri tert-butylphosphoniumtetrafluoroborate / toluene / 5 h / Reflux; Inert atmosphere
2: boron tribromide / dichloromethane / 10 h / 20 °C / Cooling with ice
View Scheme

3-(Dibutylamino)phenol Specification

The IUPAC name of 3-(Dibutylamino)phenol is 3-(dibutylamino)phenol. With the CAS registry number 43141-69-1, it is also named as N,N-Di-n-butyl-3-aminophenol. The product's category is Phenoles and Thiophenoles. Besides, it should be sealed in a cool and dry place. In addition, its molecular formula is C14H23NO and molecular weight is 221.34.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.73; (5)ACD/BCF (pH 5.5): 718.35; (6)ACD/BCF (pH 7.4): 2316.21; (7)ACD/KOC (pH 5.5): 2739.97; (8)ACD/KOC (pH 7.4): 8834.65; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 70.24 cm3; (15)Molar Volume: 224.8 cm3; (16)Polarizability: 27.84×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 0.984 g/cm3; (19)Flash Point: 157.1 °C; (20)Enthalpy of Vaporization: 61.66 kJ/mol; (21)Boiling Point: 348.7 °C at 760 mmHg; (22)Vapour Pressure: 2.45E-05 mmHg at 25 °C.

Preparation of 3-(Dibutylamino)phenol: this chemical can be prepared by the reaction of dibutylamine with 3-chloro-phenol.



This reaction needs LiN(TMS)2, 2-Cy2P-1,1'-biphenyl,1 M HCl, Pd2(dba)3 and tetrahydrofuran at temperature of 65 °C. The reaction time is 5 min. The yield is 71 %.

Uses of 3-(Dibutylamino)phenol: it can react with dihydroxy-cyclobutenedione to get bis(4-dibutylamino-2-hydroxyphenyl)squaraine.



This reaction needs toluene and butan-1-ol by heating for 2 hours. The yield is 40 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: Oc1cccc(N(CCCC)CCCC)c1
(2)InChI: InChI=1/C14H23NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h7-9,12,16H,3-6,10-11H2,1-2H3
(3)InChIKey: KHSTZMGCKHBFJX-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H23NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h7-9,12,16H,3-6,10-11H2,1-2H3
(5)Std. InChIKey: KHSTZMGCKHBFJX-UHFFFAOYSA-N

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