4,4-Diethoxy-N,N-dimethyl-1-butanamine supplier

Name
4,4-Diethoxy-N,N-dimethyl-1-butanamine
EINECS 601-109-1
CAS No. 1116-77-4
Article Data6
CAS DataBase
Density 0.884 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₃NO₂
Boiling Point 230.7 °C at 760 mmHg
Molecular Weight 189.298
Flash Point 62.6 °C
Transport Information
Appearance Colorless to light-yellowish lucent liquid
Safety 26-36/37/39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi,C
Synonyms Butyraldehyde,4-(dimethylamino)-, diethyl acetal (7CI,8CI);4,4-Diethoxy-N,N-dimethylbutanamine;4-(Dimethylamino)butanal diethyl acetal;
PSA 21.70000
LogP 1.72730

Synthetic route

: 109-54-6
3-(Dimethylamino)propyl chloride

: 122-51-0
orthoformic acid triethyl ester

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

Conditions

Conditions	Yield
With iodine; magnesium In benzene for 3.25 - 4.33333h; Heating / reflux;	75.8%
With iodine; magnesium In cyclohexane for 5.25 - 6.33333h; Heating / reflux;	72.8%
With magnesium In cyclohexane at 65 - 70℃; for 6h;

: 14444-77-0
diethyl phenyl orthoformate

: 109-54-6
3-(Dimethylamino)propyl chloride

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

Conditions

Conditions	Yield
Stage #1: 3-(Dimethylamino)propyl chloride With iodine; magnesium In benzene for 3.25 - 4.25h; Heating / reflux; Stage #2: diethyl phenyl orthoformate In benzene for 3h;	72.7%

: 1116-78-5
TMABAL diethyl acetal iodide

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

Conditions

Conditions	Yield
With ethanolamine

: 19070-16-7
3-(N,N-dimethylamino)propylmagnesium chloride

: 122-51-0
orthoformic acid triethyl ester

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide

: 50-00-0
formaldehyd

: 6346-09-4
4-aminobutyrylaldehyde diethylacetal

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

Conditions

Conditions	Yield
With titanium(IV) isopropylate; sodium tetrahydroborate 1.) diglyme, 60 deg C, 30 min then r.t., 30 min; 2.) diglyme, r.t., 2.5 h then 60 deg C, 2.5 h; Yield given. Multistep reaction;

: 64-17-5
ethanol

hydrochloride of γ-dimethylamino-butyraldehyde: hydrochloride of γ-dimethylamino-butyraldehyde

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

Conditions

Conditions	Yield
With hydrogenchloride

: 6346-09-4
4-aminobutyrylaldehyde diethylacetal

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanol; sodium hydrogencarbonate 2: 2-amino-ethanol View Scheme

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: (6Z,9Z,29Z,32Z)-octatriaconta-6,9,29,32-tetraene-18,20-diol

: 1427469-90-6
3-(4-((8Z,11Z)-heptadeca-8,11-dien-1-yl)-6-((9Z,12Z)-octadeca-9,12-dien-1-yl)-1,3-dioxan-2-yl)-N,N-dimethylpropan-1-amine

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In toluene at 80℃; for 1h;	68%

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: 5929-14-6
4-Dimethylamino-butyraldehyde oxime

Conditions

Conditions	Yield
(i) aq. HCl, (ii) NH2OH*HCl, aq. NaOH; Multistep reaction;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

A: 104459-70-3
N,N-dimethyl-4-aminobutyraldehyde

B: 2-Hydroxy-1,1-dimethyl-pyrrolidinium

Conditions

Conditions	Yield
With sulfuric acid Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: C16H36N4O2(2+)*2I(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) aq. HCl, (ii) NH2OH*HCl, aq. NaOH 2: dimethylformamide View Scheme

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: C18H40N4O2(2+)*2Br(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) aq. HCl, (ii) NH2OH*HCl, aq. NaOH 2: dimethylformamide View Scheme

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: C22H48N4O2(2+)*2Br(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) aq. HCl, (ii) NH2OH*HCl, aq. NaOH 2: dimethylformamide View Scheme

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: (S)-4-(4-hydrazinobenzyl)-1,3-oxazolidin-2-one hydrochloride

: 139264-17-8
zolmitriptan

Conditions

Conditions	Yield
In water at 90℃; for 3h; Fischer Indole Synthesis; Heating / reflux;
With hydrogenchloride In water Reflux;	62 g
With hydrogenchloride In water Reflux; Large scale;	8.2 kg

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: (4-[1,2,4]triazol-1-ylmethylphenyl)hydrazine hydrochloride

: 1016900-24-5
C15H22N6

Conditions

Conditions	Yield
With hydrogenchloride In water at 20 - 25℃; for 1h;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: 1034806-43-3
4-(1H-1,2,4-triazol-1-ylmethyl)phenylhydrazinesulfonic acid

: 144034-80-0
rizatriptan

Conditions

Conditions	Yield
Stage #1: 4,4-diethoxy-N,N-dimethyl-1-butanamine; 4-(1H-1,2,4-triazol-1-ylmethyl)phenylhydrazinesulfonic acid With sulfuric acid In water at 35 - 42℃; for 9h; Fischer Indole cyclization; Stage #2: With sodium hydroxide; water at 0 - 5℃; pH=10.5 - 11; Product distribution / selectivity;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: 152305-23-2
(S)-4-(4-aminobenzyl)-1,3-oxazolidin-2-one

: 139264-17-8
zolmitriptan

Conditions

Conditions	Yield
Stage #1: (S)-4-(4-aminobenzyl)-1,3-oxazolidin-2-one With hydrogenchloride; sodium nitrite In water at 0℃; for 0.5h; Stage #2: With sodium metabisulfite; sodium hydroxide In water at 2 - 60℃; for 1.25h; Heating / reflux; Stage #3: 4,4-diethoxy-N,N-dimethyl-1-butanamine With hydrogenchloride; sodium hydroxide more than 3 stages;
Stage #1: (S)-4-(4-aminobenzyl)-1,3-oxazolidin-2-one With hydrogenchloride; sodium nitrite In water at 0℃; for 1.5h; Stage #2: With sodium sulfite In water at 0 - 60℃; Stage #3: 4,4-diethoxy-N,N-dimethyl-1-butanamine
Stage #1: (S)-4-(4-aminobenzyl)-1,3-oxazolidin-2-one With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 0.5h; Stage #2: With sodium sulfite In water at 10℃; for 0.25h; Stage #3: 4,4-diethoxy-N,N-dimethyl-1-butanamine With hydrogenchloride Product distribution / selectivity; more than 3 stages;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: 187975-62-8
(S)-4-(4-hydrazinobenzyl)-1,3-oxazolidin-2-one

: 139264-17-8
zolmitriptan

Conditions

Conditions	Yield
at 90 - 98℃; for 2.5h; Product distribution / selectivity; Heating / reflux;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: 144035-22-3
4-(1,2,4-triazol-1-ylmethyl)phenylhydrazine

: 144034-80-0
rizatriptan

Conditions

Conditions	Yield
Stage #1: 4-(1,2,4-triazol-1-ylmethyl)phenylhydrazine With sulfuric acid In water at 65 - 70℃; for 2h; Fischer Indole Synthesis; Industry scale; Stage #2: 4,4-diethoxy-N,N-dimethyl-1-butanamine In water at 20 - 70℃; Fischer Indole Synthesis; Industry scale; Stage #3: With ammonia In water pH=8.5 - 9; Industry scale;
Stage #1: 4-(1,2,4-triazol-1-ylmethyl)phenylhydrazine With sulfuric acid at 65 - 70℃; for 2h; Fischer Indole Synthesis; Stage #2: 4,4-diethoxy-N,N-dimethyl-1-butanamine at 20 - 70℃; for 3 - 4h; Fischer Indole Synthesis; Stage #3: With ammonia; water at 15 - 20℃; pH=8.5 - 9;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: 4-Hydrazino-N-methylbenzenemethanesulphonamide hydrochloride

: 103628-54-2
C14H24N4O2S

Conditions

Conditions	Yield
With hydrogenchloride In water at 25 - 30℃; for 2h; Product distribution / selectivity; Acidic aqueous solution;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: 622-88-8
4-bromophenylhydrazine hydrochloride

: 17274-65-6
5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole

Conditions

Conditions	Yield
Stage #1: 4,4-diethoxy-N,N-dimethyl-1-butanamine; 4-bromophenylhydrazine hydrochloride With acetic acid In water for 4h; Fischer Indole Synthesis; Reflux; Stage #2: With sodium hydrogencarbonate In water pH=8 - 9;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: 119192-10-8
4-(1H-1,2,4-triazol-1-ylmethyl)aniline

: 144034-80-0
rizatriptan

Conditions

Conditions	Yield
Stage #1: 4-(1H-1,2,4-triazol-1-ylmethyl)aniline With hydrogenchloride In water at 25 - 30℃; for 0.333333 - 0.5h; Stage #2: With sodium nitrite In water at 0 - 5℃; for 3h; Stage #3: 4,4-diethoxy-N,N-dimethyl-1-butanamine With sulfuric acid; ammonia; sodium sulfite Product distribution / selectivity; more than 3 stages;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: 932-88-7
1-iodo-2-phenylethyne

: 4,4-diethoxy-N-methyl-N-(3-phenylprop-2-yn-1-yl)butan-1-amine

Conditions

Conditions	Yield
With [Au2(μ-bis(diphenylphosphanyl)methane)2](OTf)2 In acetonitrile at 0 - 20℃; for 4h; Inert atmosphere; Irradiation;

: 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine

: 2-acetyloxy-4-methoxy-4′-bromomethyl-benzophenone

: N-(4-(2-acetoxy-4-methoxybenzoyl)benzyl)-4,4-diethoxy-N,N-dimethylbutan-1-aminium bromide

Conditions

Conditions	Yield
In ethyl acetate at 20℃; Inert atmosphere;

4,4-Diethoxy-N,N-dimethyl-1-butanamine Chemical Properties

Molecular Structure of 4,4-Diethoxy-N,N-dimethyl-1-butanamine (CAS NO.1116-77-4):

Empirical Formula: C₁₀H₂₃NO₂
Molecular Weight: 189.2951
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 21.7 Å²
Index of Refraction: 1.432
Molar Refractivity: 55.54 cm³
Molar Volume: 213.9 cm³
Surface Tension: 28 dyne/cm
Density: 0.884 g/cm³
Flash Point: 62.6 °C
Enthalpy of Vaporization: 46.73 kJ/mol
Boiling Point: 230.7 °C at 760 mmHg
Vapour Pressure: 0.0649 mmHg at 25°C
Product Categories: Amines; API intermediates; Intermediates of Rizatriptan
SMILES: O(CC)C(OCC)CCCN(C)C
InChI: InChI=1/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3

4,4-Diethoxy-N,N-dimethyl-1-butanamine Safety Profile

The Hazard Codes of 4,4-Diethoxy-N,N-dimethyl-1-butanamine (CAS NO.116-77-4):Xi, C
The Risk Statements information:
10: Flammable
34: Causes burns
41: Risk of serious damage to eyes
The Safety Statements information:
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
WGK Germany: 3

4,4-Diethoxy-N,N-dimethyl-1-butanamine Specification

4,4-Diethoxy-N,N-dimethyl-1-butanamine , with CAS number of 1116-77-4, can be called 1-butanamine, 4,4-diethoxy-N,N-dimethyl- ; (4,4-Diethoxy-butyl)-dimethyl-amine ; N,N-Dimethyl-4-aminobutanal diethyl acetal .

Product Name

4,4-Diethoxy-N,N-dimethyl-1-butanamine

Synthetic route

4,4-Diethoxy-N,N-dimethyl-1-butanamine Chemical Properties

4,4-Diethoxy-N,N-dimethyl-1-butanamine Safety Profile

4,4-Diethoxy-N,N-dimethyl-1-butanamine Specification

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