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36421-15-5

Basic Information
CAS No.: 36421-15-5
Name: N-(3-chloropropyl)dibutylamine
Article Data: 14
Molecular Structure:
Molecular Structure of 36421-15-5 (N-(3-chloropropyl)dibutylamine)
Formula: C11H24ClN
Molecular Weight: 205.771
Synonyms: (3-Chloropropyl)dibutylamine;1-Chloro-3-dibutylaminopropane;1-Dibutylamino-3-chloropropane;3-(Dibutylamino)propyl chloride;3-(N,N-Dibutylamino)-1-chloropropane;3-Chloro-N,N-dibutyl-1-propanamine;3-Dibutylamino-1-chloropropane;NSC 51133;
EINECS: 253-027-7
Density: 0.899 g/cm3
Boiling Point: 253.2 °C at 760 mmHg
Flash Point: 106.9 °C
PSA: 3.24000
LogP: 3.51750
Synthetic route

1-chloro-3-(di-n-butylamino)-propane hydrochloride

36421-15-5

dibutyl-(3-chloro-propyl)-amine

Conditions
ConditionsYield
With ammonia In water at 20 - 24℃; for 1.41667h; pH=11;99.4%
With ammonia In water at 18 - 24℃; for 0.75h;99.4%
With ammonia In water at 20℃; for 0.25h;9.99 g
With ammonium hydroxide In water at 20 - 25℃; for 0.25h;
2050-51-3

3-dibutylaminopropanol

36421-15-5

dibutyl-(3-chloro-propyl)-amine

Conditions
ConditionsYield
With thionyl chloride In chloroform for 7h; Reflux;94%
With thionyl chloride In chloroform at 20℃; for 1h; Reflux; Inert atmosphere;89%
With thionyl chloride; chloroform
With thionyl chloride; benzene
With hydrogenchloride; thionyl chloride In chloroform
111-92-2

dibutylamine

627-30-5

1-chloro-3-hydroxypropane

36421-15-5

dibutyl-(3-chloro-propyl)-amine

Conditions
ConditionsYield
With thionyl chloride In chloroform; water; dimethyl sulfoxide58%
111-92-2

dibutylamine

109-70-6

1,3-chlorobromopropane

36421-15-5

dibutyl-(3-chloro-propyl)-amine

Conditions
ConditionsYield
With benzene
111-92-2

dibutylamine

36421-15-5

dibutyl-(3-chloro-propyl)-amine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: lithium tetrafluoroborate / acetonitrile / 4 h / 20 °C / Inert atmosphere
2: thionyl chloride / chloroform / 1 h / 20 °C / Reflux; Inert atmosphere
View Scheme
Multi-step reaction with 3 steps
1: methanol / 8 h / 20 °C
2: lithium aluminium tetrahydride / tetrahydrofuran / 8 h / 20 °C
3: thionyl chloride / chloroform / 7 h / Reflux
View Scheme
20120-23-4

3-dibutylaminopropionic acid ethyl ester

36421-15-5

dibutyl-(3-chloro-propyl)-amine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: lithium aluminium tetrahydride / tetrahydrofuran / 8 h / 20 °C
2: thionyl chloride / chloroform / 7 h / Reflux
View Scheme
36421-15-5

dibutyl-(3-chloro-propyl)-amine

99-76-3

methyl 4-hydroxylbenzoate

4-[3-(dibutylamino)propoxy]benzoic acid

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 25 - 100℃; for 1.16667h;99.7%
36421-15-5

dibutyl-(3-chloro-propyl)-amine

99-76-3

methyl 4-hydroxylbenzoate

methyl 4-[3-(dibutylamino)propoxyl]benzoate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 98 - 102℃; for 1h;99.7%
141645-16-1

2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran

36421-15-5

dibutyl-(3-chloro-propyl)-amine

141645-23-0

(2-butyl-5-nitrobenzofuran-3-yl)(4-(3-(dibutylamino)propoxy)phenyl)methanone

Conditions
ConditionsYield
Stage #1: 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran With potassium carbonate In toluene at 25 - 110℃; for 0.5h; Large scale;
Stage #2: dibutyl-(3-chloro-propyl)-amine In toluene Temperature; Solvent; Reflux; Large scale;
99.5%
Stage #1: 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran With potassium carbonate In acetonitrile for 0.5h;
Stage #2: dibutyl-(3-chloro-propyl)-amine In acetonitrile Reflux;
91%
Stage #1: 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran With potassium carbonate In acetonitrile for 0.5h; Reflux;
Stage #2: dibutyl-(3-chloro-propyl)-amine In acetonitrile Reflux;
91%
36421-15-5

dibutyl-(3-chloro-propyl)-amine

77833-28-4

(1-Bromo-2-ethyl-indolizin-3-yl)-(3,5-dichloro-4-hydroxy-phenyl)-methanone

79283-47-9

(1-Bromo-2-ethyl-indolizin-3-yl)-[3,5-dichloro-4-(3-dibutylamino-propoxy)-phenyl]-methanone; compound with oxalic acid

Conditions
ConditionsYield
With potassium carbonate In acetone for 20h; Heating;95.1%
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  • N-(3-chloropropyl)dibutylamine CAS NO.36421-15-5

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Specification

The CAS register number of N-(3-Chloropropyl)dibutylamine is 36421-15-5. It also can be called as 1-butanamine, N-butyl-N-(3-chloropropyl)- and the systematic name about this chemical is N-butyl-N-(3-chloropropyl)butan-1-amine. The molecular formula about this chemical is C11H24ClN and the molecular weight is 205.77. It belongs to the API.

Physical properties about N-(3-Chloropropyl)dibutylamine are: (1)ACD/LogP: 4.24; (2)ACD/LogD (pH 5.5): 1.2; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 10.59; (6)ACD/KOC (pH 5.5): 4.44; (7)ACD/KOC (pH 7.4): 52.04; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 3.24Å2; (11)Index of Refraction: 1.45; (12)Molar Refractivity: 61.58 cm3; (13)Molar Volume: 228.7 cm3; (14)Polarizability: 24.41x10-24cm3; (15)Surface Tension: 29.6 dyne/cm; (16)Enthalpy of Vaporization: 49.06 kJ/mol; (17)Boiling Point: 253.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0185 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCN(CCCC)CCCC
(2)InChI: InChI=1/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3
(3)InChIKey: ANLMKUQEPXRMGV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3
(5)Std. InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N