N-(3-Chloropropyl)dibutylamine supplier

Name
N-(3-chloropropyl)dibutylamine
EINECS 253-027-7
CAS No. 36421-15-5
Article Data14
CAS DataBase
Density 0.899 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₄ClN
Boiling Point 253.2 °C at 760 mmHg
Molecular Weight 205.771
Flash Point 106.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
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

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;

: 2050-51-3
3-dibutylaminopropanol

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

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

: 111-92-2
dibutylamine

: 627-30-5
1-chloro-3-hydroxypropane

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

Conditions	Yield
With thionyl chloride In chloroform; water; dimethyl sulfoxide	58%

: 111-92-2
dibutylamine

: 109-70-6
1,3-chlorobromopropane

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

Conditions	Yield
With benzene

: 111-92-2
dibutylamine

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

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

: 20120-23-4
3-dibutylaminopropionic acid ethyl ester

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

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

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 99-76-3
methyl 4-hydroxylbenzoate

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

Conditions

Conditions	Yield
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

Conditions	Yield
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

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%

: 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

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	95.1%

: 401840-53-7
methyl 2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-carboxylate

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 401838-64-0
Methyl 2-butyl-3-[4-[3-dibutylaminopropoxy]benzoyl]-1-benzofuran-5-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In butanone for 22h; Heating / reflux;	94%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 1352731-07-7
2-n-butyl-3-(4-hydroxy-benzoyl)-5-bis-(methylsulfonamido)-benzofuran

: 141626-57-5
N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)-benzoyl)benzofuran-5-yl)-N-(methylsulfonyl)methanesulfonamide

Conditions

Conditions	Yield
With potassium carbonate In butanone for 8h;	93.5%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77832-91-8
(1-Bromo-2-methyl-indolizin-3-yl)-(3-chloro-4-hydroxy-phenyl)-methanone

: 79282-28-3
(1-Bromo-2-methyl-indolizin-3-yl)-[3-chloro-4-(3-dibutylamino-propoxy)-phenyl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	93.3%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77823-57-5
(3,5-Dibromo-4-hydroxy-phenyl)-(2-methyl-indolizin-3-yl)-methanone

: 79285-48-6
[3,5-Dibromo-4-(3-dibutylamino-propoxy)-phenyl]-(2-methyl-indolizin-3-yl)-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	92.7%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 121346-57-4
2-Isopropyl-3-(4-hydroxybenzenesulphonyl)pyrazolo[1,5-a]pyridine

: 2-isopropyl-3-{4-[3-(di-n-butylamino)-propyloxy]benzenesulphonyl}pyrazolo[1,5-a]pyridine oxalate

Conditions

Conditions	Yield
With oxalic acid; potassium carbonate In hexane; ethyl acetate; N,N-dimethyl-formamide	92%
With oxalic acid; potassium carbonate In hexane; ethyl acetate; N,N-dimethyl-formamide	92%
With oxalic acid; potassium carbonate In hexane; ethyl acetate; N,N-dimethyl-formamide	92%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 121346-57-4
2-Isopropyl-3-(4-hydroxybenzenesulphonyl)pyrazolo[1,5-a]pyridine

A 2-isopropyl-3-[4-}3-[N-methyl-N-(3,4-dimethoxy-β-phenethyl)amino]propyloxy}benzenesulphonyl]pyrazolo(1,5-a]pyridine oxalate: 2-isopropyl-3-[4-}3-[N-methyl-N-(3,4-dimethoxy-β-phenethyl)amino]propyloxy}benzenesulphonyl]pyrazolo(1,5-a]pyridine oxalate

B: 2-isopropyl-3-{4-[3-(di-n-butylamino)-propyloxy]benzenesulphonyl}pyrazolo[1,5-a]pyridine oxalate

Conditions

Conditions	Yield
With oxalic acid; potassium carbonate In hexane; ethyl acetate; N,N-dimethyl-formamide	A n/a B 92%

...Expand

: 106-41-2
4-bromo-phenol

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 627040-50-0
N-(3-(4-bromophenoxy)propyl)-N-butylbutan-1-amine

Conditions

Conditions	Yield
With caesium carbonate; sodium iodide In acetonitrile at 20 - 60℃; for 23h; Inert atmosphere;	92%
With potassium carbonate In N,N-dimethyl-formamide	90%
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 1.33333h;	90%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77832-66-7
(1-Chloro-2-methyl-indolizin-3-yl)-(4-hydroxy-phenyl)-methanone

: 79285-57-7
(1-Chloro-2-methyl-indolizin-3-yl)-[4-(3-dibutylamino-propoxy)-phenyl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	91.7%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 88274-10-6
(3-Bromo-4-hydroxy-phenyl)-(2-ethyl-1-methyl-indolizin-3-yl)-methanone

: 86114-04-7
1-Methyl-2-ethyl-3-[4-(3-di-n-butylaminopropyl)-oxy-3-bromo-benzoyl]-indolizine

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	90.2%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77823-30-4
(3-Bromo-4-hydroxy-phenyl)-[2-(4-chloro-phenyl)-indolizin-3-yl]-methanone

: 79285-88-4
[3-Bromo-4-(3-dibutylamino-propoxy)-phenyl]-[2-(4-chloro-phenyl)-indolizin-3-yl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	89.7%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: (2,6-dibutylbenzo[1,2-b:5,4-b']difuran-3,5-diyl)bis((4-hydroxyphenyl)methanone)

: (2,6-dibutylbenzo[1,2-b:5,4-b']difuran-3,5-diyl)bis((4-(3-(dibutylamino)propoxy)phenyl)methanone)

Conditions

Conditions	Yield
Stage #1: (2,6-dibutylbenzo[1,2-b:5,4-b']difuran-3,5-diyl)bis((4-hydroxyphenyl)methanone) With potassium carbonate In toluene at 25 - 30℃; for 0.5h; Stage #2: dibutyl-(3-chloro-propyl)-amine In toluene at 25 - 30℃; for 5h;	89.5%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77823-36-0
(3-Chloro-4-hydroxy-phenyl)-(2-methyl-indolizin-3-yl)-methanone

: 79285-98-6
[3-Chloro-4-(3-dibutylamino-propoxy)-phenyl]-(2-methyl-indolizin-3-yl)-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	88.1%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77833-12-6
(1-Bromo-2-phenyl-indolizin-3-yl)-(3,5-dibromo-4-hydroxy-phenyl)-methanone

: 79283-37-7
(1-Bromo-2-phenyl-indolizin-3-yl)-[3,5-dibromo-4-(3-dibutylamino-propoxy)-phenyl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	87.7%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77833-06-8
(1-Bromo-2-methyl-indolizin-3-yl)-(3,5-dibromo-4-hydroxy-phenyl)-methanone

: 79283-33-3
(1-Bromo-2-methyl-indolizin-3-yl)-[3,5-dibromo-4-(3-dibutylamino-propoxy)-phenyl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	86.7%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77832-51-0
[2-(4-Bromo-phenyl)-indolizin-3-yl]-(3,5-dichloro-4-hydroxy-phenyl)-methanone

: 79283-31-1
[2-(4-Bromo-phenyl)-indolizin-3-yl]-[3,5-dichloro-4-(3-dibutylamino-propoxy)-phenyl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	86.7%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77832-82-7
(3-Bromo-4-hydroxy-phenyl)-(1-bromo-2-p-tolyl-indolizin-3-yl)-methanone

: 79286-49-0
[3-Bromo-4-(3-dibutylamino-propoxy)-phenyl]-(1-bromo-2-p-tolyl-indolizin-3-yl)-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	86.5%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77823-26-8
(3-Bromo-4-hydroxy-phenyl)-(2-butyl-indolizin-3-yl)-methanone

: 79285-79-3
[3-Bromo-4-(3-dibutylamino-propoxy)-phenyl]-(2-butyl-indolizin-3-yl)-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	86.3%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77832-84-9
1-bromo-2-(4-fluoro-phenyl)-3-(3-bromo-4-hydroxy-benzoyl)-indolizine

: 79286-50-3
[3-Bromo-4-(3-dibutylamino-propoxy)-phenyl]-[1-bromo-2-(4-fluoro-phenyl)-indolizin-3-yl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	86%

: 401840-64-0
2-butyl-3-(4-hydroxybenzoyl)-5-hydroxymethyl-1-benzofuran

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 144-62-7
oxalic acid

: 2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-hydroxymethyl-1-benzofuran Oxalate

Conditions

Conditions	Yield
Stage #1: 2-butyl-3-(4-hydroxybenzoyl)-5-hydroxymethyl-1-benzofuran; dibutyl-(3-chloro-propyl)-amine With potassium carbonate In butanone for 6h; Heating / reflux; Stage #2: oxalic acid In methanol	85.5%

...Expand

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77823-42-8
[2-(3-Bromo-phenyl)-indolizin-3-yl]-(3-chloro-4-hydroxy-phenyl)-methanone

: 79286-16-1
[2-(3-Bromo-phenyl)-indolizin-3-yl]-[3-chloro-4-(3-dibutylamino-propoxy)-phenyl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	85.3%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 114432-37-0
2-tert-Butyl-1-(4-hydroxybenzenesulphonyl)indolizine

: 114432-66-5
SR 33541

Conditions

Conditions	Yield
With potassium carbonate In butanone for 24h; Heating;	85%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77823-51-9
(2-Ethyl-indolizin-3-yl)-(4-hydroxy-3-methoxy-phenyl)-methanone

: 79283-82-2
[4-(3-Dibutylamino-propoxy)-3-methoxy-phenyl]-(2-ethyl-indolizin-3-yl)-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	84.9%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77823-54-2
(1-Bromo-2-ethyl-indolizin-3-yl)-(4-hydroxy-3-methoxy-phenyl)-methanone

: 79283-90-2
(1-Bromo-2-ethyl-indolizin-3-yl)-[4-(3-dibutylamino-propoxy)-3-methoxy-phenyl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	84.8%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77832-93-0
(1-Bromo-2-propyl-indolizin-3-yl)-(3-chloro-4-hydroxy-phenyl)-methanone

: 79282-34-1
(1-Bromo-2-propyl-indolizin-3-yl)-[3-chloro-4-(3-dibutylamino-propoxy)-phenyl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	84.4%

N-(3-Chloropropyl)dibutylamine 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

Product Name

N-(3-chloropropyl)dibutylamine

Synthetic route

N-(3-Chloropropyl)dibutylamine Specification

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