1,1-디메톡시-N,N-디메틸-1-부탄아민

한글명:1,1-디메톡시-N,N-디메틸-1-부탄아민

카스 번호19718-92-4

상품명:4-(N,N-Dimethylamino)butanal Dimethyl Acetal

CBNumberCB0276425

분자식C8H19NO2

포뮬러 무게161.24

MOL 파일19718-92-4.mol

동의어(한글)

1,1-디메톡시-N,N-디메틸-1-부탄아민

화학적 성질

끓는 점	164°C
밀도	0.892
굴절률	1.4200-1.4240
인화점	25°C
저장 조건	under inert gas (nitrogen or Argon) at 2-8°C
용해도	클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태	투명한 액체
산도 계수 (pKa)	9.71±0.28(Predicted)
색상	무색~연황색
안정성	수분에 민감한
InChI	InChI=1S/C8H19NO2/c1-9(2)7-5-6-8(10-3)11-4/h8H,5-7H2,1-4H3
InChIKey	WDZKKBDOGYBYBG-UHFFFAOYSA-N
SMILES	C(N(C)C)CCC(OC)OC
CAS 데이터베이스	19718-92-4(CAS DataBase Reference)

위험 및 안전 성명

HS 번호

2922.19.9690

그림문자(GHS)

1,1-디메톡시-N,N-디메틸-1-부탄아민 화학적 특성, 용도, 생산

화학적 성질
Pale Brown Oil.
용도
4-(N,N-Dimethylamino)butanal Dimethyl Acetal is a reactant used in the synthesis of hallucinogenic tryptamines.
일반 설명
4-(N,N-Dimethylamino)butanal Dimethyl Acetal is the acetal of 4-(N,N-dimethylamino)butanal. It is soluble in organic solvents and can be used as a building block for various organic syntheses, such as the synthesis of amides or sulfones. 4-(N,N-Dimethylamino)butanal Dimethyl Acetal has a high yield and can be prepared in one step by reacting methanesulfonic acid with dimethyl acetaldehyde. This reaction requires sulfuric acid and methane as catalysts.
Synthesis
synthesis of 4-(N,N-Dimethylamino)butanal dimethyl acetal: 4- Chlorobutanal dimethyl acetal (2) (100 g, 0.655 mol) was dissolved in aqueous dimethyl amine solution (200 mL) and the solution is stirred for 15 min at ambient temperature. The reaction mixture was then warmed to 50 oC and stirred for 3 h. After the reaction mixture was cooled to room temperature, the product was extracted with methylene chloride (2 × 250 mL). The combined organic layers were washed with 5 % NaHCO3 solution (2 × 100 mL) and brine solution (2 × 100 mL). The organic layer was evaporated and the residue was distilled to afford 88 g (84 %) of 4-(N,Ndimethylamino)butanal dimethyl acetal as a colourless liquid with 99.6 % purity by GC: b.p. 40 oC/1 mm Hg.

(a) (i) Sodium carbonate, dichloromethane, 5 oC, 0.5 h (ii) Methanol, conc. H2SO4, room temperature, 3 h, 87 %. (b) Aqueous dimethyl amine solution (30 %), 50 oC, 3 h, 76.0 %
1H NMR (CDCl3, 200 MHz): δ 1.47-1.63 (m, 4H), 2.21 (s, 6H), 2.24 (t, J = 7.0 Hz, 2H), 3.31 (s, 6H), 4.37 (t, J = 5.4 Hz, 2H). IR (cm-1): 2945 (-CH2-), 2816 (-CH-), 1464 (C-N), 1074 (-C-O-). Mass: m/z 162.5 (M+1).

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