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CAS No.: | 36421-15-5 |
---|---|
Name: | N-(3-chloropropyl)dibutylamine |
Article Data: | 14 |
Molecular Structure: | |
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 |
dibutyl-(3-chloro-propyl)-amine
Conditions | Yield |
---|---|
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; |
3-dibutylaminopropanol
dibutyl-(3-chloro-propyl)-amine
Conditions | Yield |
---|---|
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 |
Conditions | Yield |
---|---|
With thionyl chloride In chloroform; water; dimethyl sulfoxide | 58% |
Conditions | Yield |
---|---|
With benzene |
dibutylamine
dibutyl-(3-chloro-propyl)-amine
Conditions | Yield |
---|---|
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 |
3-dibutylaminopropionic acid ethyl ester
dibutyl-(3-chloro-propyl)-amine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 8 h / 20 °C 2: thionyl chloride / chloroform / 7 h / Reflux View Scheme |
dibutyl-(3-chloro-propyl)-amine
methyl 4-hydroxylbenzoate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 25 - 100℃; for 1.16667h; | 99.7% |
dibutyl-(3-chloro-propyl)-amine
methyl 4-hydroxylbenzoate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 98 - 102℃; for 1h; | 99.7% |
2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran
dibutyl-(3-chloro-propyl)-amine
(2-butyl-5-nitrobenzofuran-3-yl)(4-(3-(dibutylamino)propoxy)phenyl)methanone
Conditions | Yield |
---|---|
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% |
dibutyl-(3-chloro-propyl)-amine
(1-Bromo-2-ethyl-indolizin-3-yl)-(3,5-dichloro-4-hydroxy-phenyl)-methanone
(1-Bromo-2-ethyl-indolizin-3-yl)-[3,5-dichloro-4-(3-dibutylamino-propoxy)-phenyl]-methanone; compound with oxalic acid
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 20h; Heating; | 95.1% |
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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