104197-11-7

Basic information

• Product Name: Propanedioic acid, mono(1,1-dimethylethyl) ester, magnesium salt
• CAS NO: 104197-11-7
• Molecular Formula: C7H12O4.1/2Mg
• Molecular Weight: 342.629
• Mol File: 104197-11-7.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Propanedioic acid, mono(1,1-dimethylethyl) ester, magnesium salt(CAS DataBase Reference)
• NIST Chemistry Reference: Propanedioic acid, mono(1,1-dimethylethyl) ester, magnesium salt(104197-11-7)
• EPA Substance Registry System: Propanedioic acid, mono(1,1-dimethylethyl) ester, magnesium salt(104197-11-7)

Safety Data

• Hazardous Substances Data: 104197-11-7(Hazardous Substances Data)

Upstream product

• 40052-13-9 mono-tert-butyl malonate 

Downstream Products

• 80282-54-8 tert-butyl 3-oxo-3-(phenylthio)propanoate 
• 74530-59-9 tert-butyl 4-methoxy-3-oxobutanoate 
• 1351987-28-4 (S)-1-benzyl-6-tert-butyl-2-isopropyl-4-oxohexanedioate 
• 1351987-33-1 (5S)-6-benzyl-1-tert-butyl-5-isopropyl-2-((R)-2-(4-methoxy-3-(3-methoxypropoxy)benzyl)-3-methylbutyl)-3-oxohexanedioate 
• 1351987-34-2 (S,E)-6-benzyl-1-tert-butyl-3-acetoxy-5-isopropyl-2-((S)-2-(4-methoxy-3-(3-methoxypropoxy)benzyl)-3-methylbutyl)hex-2-enedioate 
• 134394-98-2 1,1-dimethylethyl (R)-7-<2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-<(phenylamino)carbonyl>-1H-pyrrol-1-yl>-5-hydroxy-3-oxo-1-heptanoate 
• 125971-94-0 2-((4R, 6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid tert-butyl ester 
• 125988-01-4 tert-butyl (5R)-6-cyano-5-hydroxy-3-carbonylhexanoate 
• 125971-93-9 (3R,5R)-tert-butyl-6-cyano-3,5-dihydroxyhexanoate 
• 118248-77-4 5-{(2S,3R)-3-[2-(Biphenyl-4-yloxy)-ethyl]-2-methyl-4-oxo-azetidin-3-yl}-3-oxo-pentanoic acid tert-butyl ester 

Relevant articles and documents

Synthesis method of 4-methoxy-3-tert-butyl oxobutyrate

The invention provides a synthesis method of 4-methoxy-3-tert-butyl -oxobutyrate, and the method comprises the following steps: S1, reacting methoxyacetic acid with CDI at 0-20 DEG C under the protection of nitrogen to generate acylimidazole; S2, dissolving mono-tert-butyl malonate in a solvent, dropwise adding an isopropyl Grignard agent under an ice bath condition, and reacting at -10 to 25 DEGC to generate mono-tert-butyl malonate magnesium salt; and S3, dropwise adding the solution obtained after the reaction in the S2 into the solution obtained after the reaction in the S1, and after dropwise adding is completed, carrying out a reaction for 15-18 hours at the temperature of 20-35 DEG C to generate the 4-methoxy-3-tert-butyl oxobutyrate. In conclusion, the methoxyacetic acid and the mono-tert-butyl malonate are adopted as raw materials and are easy to obtain and cheap, flammable and explosive reagents are not used in the whole synthesis process, the reaction condition temperatureis mild, aftertreatment is little, the yield is high, and in conclusion, the synthesis method is low in cost, high in efficiency, mild in reaction condition and suitable for large-scale industrial production.

AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS

Compounds of general formula (I), and their pharmaceutically acceptable salts, wherein R1, R2, R3, R5, R6, R8, R9, A, X1, X2, and X3 are defined herein, that may be useful as inductors of type I interferon production, specifically as STING active agents, are provided. Also provided are compositions comprising such compounds, processes for the synthesis of such compounds, and to uses of such compounds, including administration of such compounds to induce immune response, to induce STING-dependent type I interferon production, and/or to treat a cell proliferation disorder, such as cancer.