ChemicalBook--->CAS DataBase List--->1413945-87-5

1413945-87-5

1413945-87-5 Structure

1413945-87-5 Structure
IdentificationBack Directory
[Name]

2-(DiMethylaMino)acetaldehyde sulfite
[CAS]

1413945-87-5
[Synonyms]

2-(DiMethylaMino)acetaldehyde sulfite
Acetaldehyde, 2-(dimethylamino)-, sulfite (1:1)
[Molecular Formula]

C4H11NO4S
[MDL Number]

MFCD27920673
[MOL File]

1413945-87-5.mol
[Molecular Weight]

169.199
Chemical PropertiesBack Directory
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[color ]

White
[InChI]

InChI=1S/C4H9NO.H2O3S/c1-5(2)3-4-6;1-4(2)3/h4H,3H2,1-2H3;(H2,1,2,3)
[InChIKey]

XALXJVVARIGVBA-UHFFFAOYSA-N
[SMILES]

C(=O)CN(C)C.S(O)(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2912190090
Hazard InformationBack Directory
[Uses]

2-(Dimethylamino)acetaldehyde sulfite is an intermediate compound that can be used in the preparation of the hallucinogenic compounds psilocin and psilocybin.
[Synthesis]

2,2-Diethoxy-N,N-dimethylethylamine

3616-56-6

2-(DiMethylaMino)acetaldehyde sulfite

1413945-87-5

The general procedure for synthesizing 2-(dimethylamino)acetal sulfite from dimethylaminoacetaldehyde diethyl acetal was as follows: 40.0 g of dimethylaminoacetaldehyde diethyl acetal was added to a mixture comprising 48.0 g of concentrated hydrochloric acid and 20.0 mL of water, heated to 40°C and maintained at this temperature for 3 hours of reaction. Subsequently, a solution of 42.4 g of sodium bisulfite dissolved in 72.0 mL of water (aqueous sodium bisulfite) was slowly added dropwise, and stirring of the reaction mixture was continued for 1 hour after completion of the dropwise addition. 200.0 mL of ethanol was added to the reaction system and the mixture was subsequently stirred at 0°C for 2 hours. Upon completion of the reaction, the suspension was separated by filtration, and the solid product was washed with 160.0 mL of ethanol and dried under vacuum at 45 °C. A final product of 42.5 g was obtained in 89.6% yield of the theoretical value. The product started to decompose at 180°C.

[References]

[1] Patent: WO2007/85638, 2007, A1. Location in patent: Page/Page column 23
Spectrum DetailBack Directory
[Spectrum Detail]

2-(DiMethylaMino)acetaldehyde sulfite(1413945-87-5)1HNMR
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