ChemicalBook >> CAS DataBase List >>4,4-Diethoxy-N,N-dimethyl-1-butanamine

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

CAS No.
1116-77-4
Chemical Name:
4,4-Diethoxy-N,N-dimethyl-1-butanamine
Synonyms
4,4-diethoxy-N,N-diMethylbutan-1-aMine;Zolmitriptan USP RC H;1-Butanamine,4,4-diethoxy-N,N-;Zolmitriptan Related Compound H;4,4-Diethoxy-N-Dimethylbutylamine;(4,4-DIETHOXY-BUTYL)-DIMETHYL-AMINE;4,4-DIETHOXY-N,N-DIMETHYLBUTANAMINE;Zolmitriptan USP Related Compound H;4-DiMethylaMinobutanol diethylacetal;4,4-DIETHOXY-N, N-DIMETHYL-BUTYLAMINE
CBNumber:
CB7176364
Molecular Formula:
C10H23NO2
Molecular Weight:
189.3
MDL Number:
MFCD00671479
MOL File:
1116-77-4.mol
MSDS File:
SDS
Last updated:2025-07-24 18:13:42

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

Boiling point 194-195C
Density 0.844 g/mL at 25 °C(lit.)
refractive index n20/D 1.421(lit.)
Flash point 158 °F
storage temp. 2-8°C
solubility Chloroform, Ethyl Acetate
form Oil
pka 9.71±0.28(Predicted)
color Colourless to Pale Yellow
InChI InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3
InChIKey QKXMWBLNSPNBEY-UHFFFAOYSA-N
SMILES C(N(C)C)CCC(OCC)OCC
CAS DataBase Reference 1116-77-4(CAS DataBase Reference)
FDA UNII P64QEI4T0I
UNSPSC Code 41116107
NACRES NA.24

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS05
Signal word  Danger
Hazard statements  H318
Precautionary statements  P280-P305+P351+P338+P310
Hazard Codes  Xi,C
Risk Statements  41-34-10-36/37/38
Safety Statements  26-36/37/39-16-37
RIDADR  UN 3267 8 / PGIII
WGK Germany  3
HS Code  29225090
NFPA 704
1
2 0

4,4-Diethoxy-N,N-dimethyl-1-butanamine price More Price(21)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 647055 4,4-Diethoxy-N,N-dimethyl-1-butanamine 1116-77-4 5g $79.1 2025-07-31 Buy
Sigma-Aldrich 1727097 Zolmitriptan Related Compound H United States Pharmacopeia (USP) Reference Standard 1116-77-4 50mg $1360 2025-07-31 Buy
TCI Chemical D3973 4-(Dimethylamino)butyraldehyde Diethyl Acetal >98.0%(GC)(T) 1116-77-4 5g $32 2025-07-31 Buy
TCI Chemical D3973 4-(Dimethylamino)butyraldehyde Diethyl Acetal >98.0%(GC)(T) 1116-77-4 25g $87 2025-07-31 Buy
Sigma-Aldrich 647055 4,4-Diethoxy-N,N-dimethyl-1-butanamine 1116-77-4 25g $500 2025-07-31 Buy
Product number Packaging Price Buy
647055 5g $79.1 Buy
1727097 50mg $1360 Buy
D3973 5g $32 Buy
D3973 25g $87 Buy
647055 25g $500 Buy

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

Chemical Properties

Light yellow liquid

Uses

4,4-Diethoxy-N,N-dimethyl-1-butanamine is used in organic synthesis and pharmaceutical intermediates, it is an intermediate for Sumatriptan, Rizatriptan, Almotriptan, Zolmitriptan.

Application

4-Dimethylaminobutyraldehyde Diethyl Acetal (Zolmitriptan USP Related Compound H) is used in the preparation of N,N-Dimethyltryptamines, 5-HT1D receptor agonists, for medicinal treatments such as antimigraine drugs.

Preparation

4-Dimethylaminobutyraldehyde diethyl acetal synthesis: The reaction of 1-bromo-3-chloro propane and dimethylamine solution with PEG as a phase transfer catalyst, and obtained 3-dimethylamino-1-chloro propane. 3-dimethylamino-1-chloro propane reacted with magnesium and Grinard reagent was acquired. 4-Dimethylaminobutyraldehyde diethyl acetal is obtained by the reaction of Grinard reagent and triethyl orthoformate. The yield was 70.11%.

Synthesis Reference(s)

Tetrahedron Letters, 35, p. 2401, 1994 DOI: 10.1016/0040-4039(94)85230-8

Synthesis

3-Chloro-1-(N,N-dimethyl)propylamine

109-54-6

Triethyl orthoformate

122-51-0

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

1116-77-4

Magnesium shavings (25 g) were added to a 2L four-necked round-bottomed flask under nitrogen protection. Benzene (50 mL), benzene solution of 3-chloro-1-(N,N-dimethyl)propylamine (50 mL), triethyl orthoformate (20 g), and a small amount of iodine crystals were added sequentially and slowly heated to reflux temperature. After 15-20 minutes of refluxing, a vigorous reaction was observed, indicating the onset of the Grignard reaction. The remaining benzene solution of 3-chloro-1-(N,N-dimethyl)propylamine and triethyl orthoformate (174 g, where R3 = R5 = Et) were loaded into two charging funnels and added slowly and dropwise to the reaction mixture over a period of 3-4 hr, maintaining reflux. After completion of the reaction, it was cooled to 25 °C and filtered through a diatomaceous earth pad. The filter cake was washed with benzene (100 mL). Benzene was removed by distillation at atmospheric pressure using a 20 cm Vigreux column. The residue was distilled under mild vacuum with a controlled bath temperature below 100 °C to recover excess triethyl orthoformate (60 g). Finally, 4-dimethylaminobutyraldehyde diethyl acetal was purified by reduced pressure distillation to give 125 g (75.8% yield) of a colorless liquid with a boiling point of 140-150°C/15-20 mmHg.

References

[1] Patent: WO2003/101931, 2003, A2. Location in patent: Page 14-15
[2] Patent: WO2003/101931, 2003, A2. Location in patent: Page 15-16
[3] Patent: WO2004/99141, 2004, A1. Location in patent: Page 9-10

109-54-6
122-51-0
1116-77-4
Synthesis of 4,4-Diethoxy-N,N-dimethyl-1-butanamine from 3-Chloro-1-(N,N-dimethyl)propylamine and Triethyl orthoformate

4,4-Diethoxy-N,N-dimethyl-1-butanamine Preparation Products And Raw materials

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View Lastest Price from 4,4-Diethoxy-N,N-dimethyl-1-butanamine manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4,4-Diethoxy-N,N-dimethyl-1-butanamine pictures 2025-08-13 4,4-Diethoxy-N,N-dimethyl-1-butanamine
1116-77-4
0.99 RongNa Biotechnology Co.,Ltd
4,4-Diethoxy-N,N-dimethyl-1-butanamine pictures 2025-08-08 4,4-Diethoxy-N,N-dimethyl-1-butanamine
1116-77-4
US $100.00 / kg 1kg 99 300tons Hebei Mujin Biotechnology Co.,Ltd
4,4-Diethoxy-N,N-dimethyl-1-butanamine pictures 2025-07-25 4,4-Diethoxy-N,N-dimethyl-1-butanamine
1116-77-4
US $0.00 / kg 1kg 99% 10000KGS Shaanxi Dideu New Materials Co. Ltd

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

N,N-DIMETHYL-4-AMINOBUTANAL DIETHYL ACETAL N, N-DIMETHYL-4,4-DIETHOXY-1-BUTANAMINE Zolmitriptan Related Compound H 4-(N,N-DIMETHYLAMINO)BUTANAL DIETHYL ACETAL 4-DIMETHYLAMINO BUTYRALDEHYDE DIETHYL ACETAL 4-DIMETHYLAMINO BUTANAL DIETHYL ACETAL (4,4-DIETHOXY-BUTYL)-DIMETHYL-AMINE 4,4-DIETHOXY-N,N-DIMETHYL-1-BUTANAMINE 4,4-DIETHOXY-N,N-DIMETHYLBUTANAMINE 4,4-DIETHOXY-N, N-DIMETHYL-BUTYLAMINE 1-BUTANAMINE 4,4-DIETHOXY-N,N-DIMETHYL 1-Butanamine, 4,4-diethoxy-N,N-dimethyl- S 4,4-Diethoxy-N,N-dimethyl-1-butanamine(DDBA) 1-Butanamine,4,4-diethoxy-N,N- 4,4-diethoxy-N,N-dimethyl-butylamine (intermediate of zolmitriptan and sumatriptan) 4-(N,N-DIMETHYLAMINO)BUTANAL DIETHYL ACETAL(FOR ZOLMITRIPTAN AND OTHER TRIPTANS) 4-(N,N-DIMETHYLAMINO)-BUTYRALDEHYDE DIETHYL ACETAL 4-N,N-DIMETHYLAMINOBUTANAL DIETHYL ACETAL (FOR SUMATRIPTAN, RIZATRIPTAN, ZOLMITRIPTAN) 4-N,N-dimethylaminobutanal diethyl acetal ( For Triptans ) 4,4-DIETHOXY-N,N-DIMETHYL BUTYLAMINE,GC 96+% 4-DimethylamineButyaldehydeDimethylAcetal(ForSumatriptan) 4-Dimethylamine butyaldehyde dimethyl acetal N,N-diethylamino-butyraldehyde diethyl acetal 4,4-Diethoxy-N-Dimethylbutylamine 4-(N,N-Dimethylamino)butyaldehyde diethyl acetal 1-(N,N-Dimethylamino)-4,4-diethoxybutane Zolmitriptan USP RC H 4,4-diethoxy-N,N-diMethylbutan-1-aMine 4,4-Diethoxy-N,N-diMethyl-1-butanaMine, 97.5% 4-DiMethylaMinobutanol diethylacetal 4,4-diethoxy-N,N-dimethyl-1-But·Namine 4,4-Diethoxy-N,N-dimethyl-1-butanamine 1116-77-4 1116-77-4 4,4-Diethoxy-N,N-dimethyl-1-butanamine 4,4-Dimethylaminobutyraldehyde diethylacetal Zolmitriptan USP Related Compound H 4-(Dimethylamino)butyraldehydeDiethylAcetal> Zolmitriptan Impurity 10(Zolmitriptan USP RC H) 4,4-Diethoxy-N,N-dimethyl-1-l-butanamine 4-(N,N-Dimethylamino) butane ditheyl acetal 4-Dimethylaminobutyraldehyde Diethyl Acetal/Zolmitriptan USP RC H 4-Dimethylamino Butanal Diethyl AcetalQ: What is 4-Dimethylamino Butanal Diethyl Acetal Q: What is the CAS Number of 4-Dimethylamino Butanal Diethyl Acetal Q: What is the storage condition of 4-Dimethylamino Butanal Diethyl Acetal Q: What are the applications of 4-Dimethylamino Butanal Diethyl Acetal Zolmitriptan Related Compound H (4,4-Diethoxy-N,N-dimethylbutan-1-amine) (1727097) 4-Dimethylaminobutyraldebyde Diethyl Acetal 4,4-Diethoxy-N,N-dimethyl-1-butanamine Zolmitriptan Impurity: N,N-Dimethyl amino butanaldiethyl acetal 1116-77-4 116-77-4 CH32NCH23CHOCH2CH32 C10H23NO2 C9 to C10 Amines Building Blocks Nitrogen Compounds Organic Building Blocks Other Products API intermediates Intermediates of Rizatriptan Amines