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2,2-Dimethyl-1,3-dioxane-4,6-dione 丙二酸环(亚)异丙酯

规格: 98%

CAS: 2033-24-1

产品编号: H81794

MDL: MFCD00006638

品牌: INFI

Chemical Name	2,2-Dimethyl-1,3-dioxane-4,6-dione
CAS Number	2033-24-1
Alfabeta Name	DIMETHYLDIOXANEDIONE 221346-----,,,
MDL Number	MFCD00006638
Synonym	Meldrum's acid {LY} Meldrum's acid {} {LY} Meldrum's acid {} {} {LY} Meldrum's acid {} {} {} {LY} Meldrum's acid {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Meldrum's acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
EC Number	217-992-8
Beilstein Registry Number	117310
Merck Number	5817
PubChem Substance ID	16249
Reaxys-RN	117310
Chemical Name Translation	丙二酸环(亚)异丙酯
Wiswesser Line Notation	T6OV DVOTJ F1 F1
LabNetwork Molecule ID	LN00009658
InChI	InChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3
Canonical SMILES	O=C(C1)OC(C)(C)OC1=O

GHS Symbol

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04102

Warnings	IRRITANT
Signal word	Warning
WGK Germany	3
Safety Statements
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
RTECS	JH0800000
Hazard Codes	Xi
Personal Protective Equipment	Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition	2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

通过羟醛冷凝和用三乙基胺甲醛还原得到，苄基取代的米氏酸经由水解、失去CO2和氯磺酸进行Friedel-Crafts 环化生成2，3-二氢-2-茚酮。离子液体中加速醛和米氏酸之间的诺文葛尔浓缩反应（Knoevenagel condensations）。

{ALF} C-Acylation with acyl chlorides occurs in the presence of 2 equivalents of pyridine in high yield. Alcoholysis of the product provides a good route to ß-keto esters: J. Org. Chem., 43, 2087 (1978); Org. Synth. Coll., 7, 359 (1988), also obtainable by reaction of the Na salt with acid anhydrides in DMF: Synthesis, 451 (1982). Alternatively, mild hydrolysis and decarboxylation of the intermediate acyl Meldrum's acid gives the methyl ketone, providing an alternative to organometallic methods for conversion of acyl chlorides to methyl ketones: Synth. Commun., 10, 221 (1980):

{ALF} Knoevenagel condensation with aldehydes gives ylidene derivatives which are solvolyzed by alcohols to give monoesters of alkylidene or arylidene malonic acids: J. Am. Chem. Soc., 74, 5897 (1952). For diastereoselective condensation with citronellal, followed by intramolecular Diels-Alder reaction, see: Org. Synth. Coll., 8, 353 (1993). With formaldehyde in pyridine gives the stable pyridinium methylide which, on treatment with

{ALD} Merck:14,5817

{ALF} For phase-transfer alkylation using K2CO3 as base, see: Synthesis, 452 (1982); Bull. Soc. Chim. Belg., 104, 643 (1995). Phase-transfer addition to Michael acceptors also occurs: Synthesis, 224 (1984). Mitsunobu dialkylation with an alcohol and DIAD/Ph3P is also possible: J. Org. Chem., 62, 1617 (1997).

{TRC} Nelson, N., et al.: J. Biol. Chem., 245, 143

{ALF} Condensation with lactim ethers, catalyzed by Nickel(II) 2,4-pentanedionate, 18811, with alcoholysis of the resulting enamino Meldrum's acids, gives of cyclic ß-enamino esters, useful as alkaloid precursors: J. Org. Chem., 43, 4662 (1978); for an example, see: Org. Synth. Coll., 8, 263 (1993).

{ALD} Merck:14,5817

Beilstein: 19,V,5,8

2033-24-1 H81794 2,2-Dimethyl-1,3-dioxane-4,6-dione
丙二酸环(亚)异丙酯

化学属性

Mol. Formula	C6H8O4
Mol. Weight	144.13
Density	1.1111
Melting Point	91 - 97 °C
TSCA	Yes
Solubility	2.5 G/100 ML (20 ºC)
Appearance	白色结晶。熔点94-95℃，水溶性 2.5g/100ml(20℃)
Boiling Point	182.71 °C

*以上化合物性质及应用等信息仅供参考

手性催化剂及配体

合成砌块

医药中间体

2,2-Dimethyl-1,3-dioxane-4,6-dione 丙二酸环(亚)异丙酯

规格: 98%

化学属性

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