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3-Oxohexanedioic Acid Diethyl Ester is an organic compound that serves as an intermediate in the synthesis of various pharmaceutical compounds. It is a colorless liquid with a characteristic ester odor and is soluble in organic solvents.

7149-59-9

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7149-59-9 Usage

Uses

Used in Pharmaceutical Industry:
3-Oxohexanedioic Acid Diethyl Ester is used as an intermediate in the preparation of CMPF (C595000), a drug-binding inhibitor. CMPF is also a constituent of urine and can inhibit specific T4 binding in serum by increasing the free concentration of direct competitors. This makes it a valuable compound in the development of drugs targeting specific binding interactions in the body.

Check Digit Verification of cas no

The CAS Registry Mumber 7149-59-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,1,4 and 9 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 7149-59:
(6*7)+(5*1)+(4*4)+(3*9)+(2*5)+(1*9)=109
109 % 10 = 9
So 7149-59-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H16O5/c1-3-14-9(12)6-5-8(11)7-10(13)15-4-2/h3-7H2,1-2H3

7149-59-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name diethyl 3-oxohexanedioate

1.2 Other means of identification

Product number -
Other names Diethyl 3-oxoadipate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:7149-59-9 SDS

7149-59-9Relevant academic research and scientific papers

PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS

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Paragraph 1170; 1171, (2018/06/15)

The present disclosure relates to a class of pyrimidine derivatives having immunomodulating properties that act via TLR7 which are useful in the treatment of viral infections and cancers.

Preparation methods for 5-aminolevulinic acid hydrochloride and 5-aminolevulinic acid hydrochloride intermediate

-

, (2018/09/11)

The invention discloses preparation methods for a 5-aminolevulinic acid hydrochloride and a 5-aminolevulinic acid hydrochloride intermediate. The preparation method for the 5-aminolevulinic acid hydrochloride intermediate comprises: (1) carrying out a reaction on a compound 2 and isopropylidene malonate in an organic solvent under the actions of an organic alkali and a condensing agent to obtain acompound 3; and (2) carrying out a reaction on the compound 3 in a C1-C4 alcohol solvent to obtain a compound 4, wherein R1 and R' are respectively and independently C1-C4 alkyl. The present invention further provides a method for preparing a 5-aminolevulinic acid hydrochloride by using the 5-aminolevulinic acid hydrochloride intermediate. According to the present invention, the intermediate product is basically solid and is easily crystallized and purified; and the method has characteristics of high yield, low production cost and easy operation, and is suitable for industrial production. Thecompounds 1, 2, 3 and 4 are defined in the specification.

BENZOXAZEPINE COMPOUND

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Page/Page column 26-27, (2010/11/08)

A compound represented by the formula [1]: wherein ring A and ring B each represent an optionally substituted benzene ring; ring C represents an optionally further substituted aromatic ring; R1 represents a lower alkyl group optionally substituted with an optionally substituted hydroxyl group; X1a represents a bond or optionally substituted lower alkylene; X1b represents a bond or optionally substituted lower alkylene; X2 represents a bond, -O- or -S-; X3 represents a bond or an optionally substituted divalent hydrocarbon group; Y represents an optionally esterified or amidated carboxyl group, or a salt thereof. The compound of the formula [I] is safer and has more potent lipid lowering activity such as squalene synthase inhibitory activity (cholesterol lowering activity) and triglyceride lowering activity, and thus it is a compound useful as an agent for preventing or treating hyperlipemia.

The reactions of diazo compounds with lactones. Part 1. Cyclopropanespiro-β-lactones from diketene: Synthesis and reactions

Murphy, Paul V.,O'Sullivan, Timothy J.,Geraghty, Niall W.A.

, p. 2109 - 2119 (2007/10/03)

The cyclopropanespiro-β-lactones 3, 4 and 12 can be prepared by the metal catalysed, or photochemically promoted decomposition reactions of diazocompounds in the presence of diketene. The thermal reactions of these compounds give a variety of products depending on the nature of the spirolactone; these include a furan 9a, 1,4-dicarbonyl compounds 18a-c and 19b, a pyranone 20b, furanones 21a, 21f and 22a and the enol 16. The boron trifluoride promoted reaction of a mixture of 3b and 4b gives a 13-ketoacid. Mechanisms are proposed for the formation of these products. The rearrangment of the cyclopropanespiro-β-lactones to furan-2(5H)-ones and furan-2-(3H)-ones 6-8, 21a, 21f, 22a and 24 is shown to be a general reaction that involves metal catalysis. A mechanism based on formation of a metallocycle by a novel insertion of the metal into the C-O bond of the β-lactone ring is proposed for this rearrangement. This accounts for the observed features of the reaction.

Niobium pentachloride-mediated novel homologation reactions using α-trialkylstannylmethyl-β-keto esters

Yamamoto, Makoto,Nakazawa, Misako,Kishikawa, Keiki,Kohmoto, Shigeo

, p. 2353 - 2354 (2007/10/03)

In the presence of niobium pentachloride (NbCl5), an α-trialkylstannylmethyl-β-keto ester is homologated to the corresponding γ-keto ester in good yield; the reaction mechanism is discussed.

Metal catalysed rearrangement of cyclopropanespiro-β-lactones to 2-furanones

Geraghty, Niall W. A.,Murphy, Paul A.

, p. 6737 - 6740 (2007/10/02)

The rearrangement of 5-oxo-4-oxaspiro[2.3]hexanes (cyclopropanespiro-β-lactones) to 2(5H)-furanones and 2(3H)-furanones is shown to be a general reaction which is promoted by metal catalysts. A mechanism is proposed, involving the novel insertion of a metal species into the O-C(β) bond of the β-lactone ring, which explains the basic features of the reaction, including its regioselectivity.

Preparation of γ-Substituted β-Oxoesters with a New Heterocyclic Synthon

Doleschall, Gabor,Seres, Peter,Kovacs, Attila

, p. 324 - 346 (2007/10/02)

Ethyl 2,5-dihydro-2,3-dimethyl-5-oxoisoxazole-4-carboxylate was alkylated and acylated via its potassium-salt generated by potassium t-butoxide under convenient conditions.Hydrolysis of the enamines obtained by the catalytic hydrogenation of the 3-alkylated/acetylated derivatives affords β-oxo and β,δ-dioxoesters, respectively.Hydrogenolysis of the 3-acyl derivatives allows the regiospecific synthesis of β-enamino-δ-oxoesters.

A NEW ENAMINE-SALT FOR THE SYNTHESIS OF γ-ALKYLATED ETHYL ACETOACETATE DERIVATIVES

Doleschall, G.

, p. 6339 - 6340 (2007/10/02)

A convenient method for the preparation of γ-alkylated ethyl acetoacetate from alkyl halides via a new isoxazole enamine-salts is reported.

AN IMPROVED SYNTHESIS OF 2-METHYL-4-(2'-CARBOXYETHYL)PYRROLE. POTENTIAL INHIBITORS OF PORPHOBILINOGEN DEAMINASE

Wilen, Samuel H.,Shen, DeKang,Licata, Joseph M.,Baldwin, Enoch,Russell, Charlotte S.

, p. 1747 - 1757 (2007/10/02)

Improved syntheses of 2-methyl-4-(2'-carboxyethyl)pyrrole (10) (49percent overall yield) and of several O- and S-containing β-(5-ring heterocyclic)-substituted propionic acid are described.Some of these compounds have been found to be inhibitors of porphobilinogen deaminase.

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