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ETHYL 5-TERT-BUTYLTHIO-2,2-DIMETHYL-4-OXOPENTANOATE, with the CAS number 136558-13-9, is a light yellow oil compound that is primarily utilized in the field of organic synthesis. Its unique chemical structure allows it to serve as a valuable intermediate in the creation of various complex organic molecules.

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  • 136558-13-9 Structure
  • Basic information

    1. Product Name: ETHYL 5-TERT-BUTYLTHIO-2,2-DIMETHYL-4-OXOPENTANOATE
    2. Synonyms: ETHYL 5-TERT-BUTYLTHIO-2,2-DIMETHYL-4-OXOPENTANOATE;5-(tert-Butylthio)-2,2-diMethyl-4-oxopentanoic Acid Ethyl Ester;5-[(1,1-DiMethylethyl)thio]-2,2-diMethyl-4-oxo-pentanoic Acid Ethyl Ester;Pentanoic acid, 5-[(1,1-diMethylethyl)thio]-2,2-diMethyl-4-oxo-, ethyl ester
    3. CAS NO:136558-13-9
    4. Molecular Formula: C13H24O3S
    5. Molecular Weight: 260.39
    6. EINECS: N/A
    7. Product Categories: Miscellaneous Reagents
    8. Mol File: 136558-13-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 110-132°C
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.010±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Refrigerator
    8. Solubility: Dichloromethane, Ethyl Acetate, Methanol
    9. CAS DataBase Reference: ETHYL 5-TERT-BUTYLTHIO-2,2-DIMETHYL-4-OXOPENTANOATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: ETHYL 5-TERT-BUTYLTHIO-2,2-DIMETHYL-4-OXOPENTANOATE(136558-13-9)
    11. EPA Substance Registry System: ETHYL 5-TERT-BUTYLTHIO-2,2-DIMETHYL-4-OXOPENTANOATE(136558-13-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 136558-13-9(Hazardous Substances Data)

136558-13-9 Usage

Uses

Used in Organic Synthesis:
ETHYL 5-TERT-BUTYLTHIO-2,2-DIMETHYL-4-OXOPENTANOATE is used as a synthetic intermediate for the development of a wide range of organic compounds. Its chemical properties, including its light yellow oil consistency, make it a versatile building block in the synthesis of various molecules with potential applications in different industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, ETHYL 5-TERT-BUTYLTHIO-2,2-DIMETHYL-4-OXOPENTANOATE is used as a key component in the synthesis of new drug candidates. Its unique structure can be manipulated to create novel molecules with potential therapeutic properties, contributing to the development of innovative treatments for various medical conditions.
Used in Chemical Research:
ETHYL 5-TERT-BUTYLTHIO-2,2-DIMETHYL-4-OXOPENTANOATE is also used as a research tool in chemical laboratories. Its properties and reactivity can be studied to gain insights into new reaction mechanisms, which can lead to the discovery of more efficient synthetic routes and the development of new chemical processes.
Used in Material Science:
In the field of material science, ETHYL 5-TERT-BUTYLTHIO-2,2-DIMETHYL-4-OXOPENTANOATE can be used as a precursor to develop new materials with specific properties. Its incorporation into polymers or other materials can result in novel materials with enhanced characteristics, such as improved stability, reactivity, or selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 136558-13-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,6,5,5 and 8 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 136558-13:
(8*1)+(7*3)+(6*6)+(5*5)+(4*5)+(3*8)+(2*1)+(1*3)=139
139 % 10 = 9
So 136558-13-9 is a valid CAS Registry Number.

136558-13-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 5-(tert-butylthio)-2,2-dimethyl-4-oxopentanoate

1.2 Other means of identification

Product number -
Other names ethyl 5-tert-butylsulfanyl-2,2-dimethyl-4-oxopentanoate

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:136558-13-9 SDS

136558-13-9Relevant articles and documents

COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS

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, (2020/01/24)

Provided herein is novel compounds of formula (I), (II), (III), (IV), and (V) as described in the specification, and pharmaceutically acceptable salts, solvates, and prodrugs and compositions thereof, and methods of measuring hedgehog pathway activation in tumor cells, examining tumor cell proliferation, differentiation and apoptosis and using the compounds and pharmaceutical compositions disclosed for treatment of diseases and disorders associated with the hedgehog signaling pathway.

A hedgehog pathway inhibitor and its preparation method and application

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, (2019/04/10)

The invention relates to a compound, the structural formula of the compound is shown as formula (1) is shown. The invention also provides a method for preparing the compound. The invention also provides the above-mentioned compound or its pharmaceutically

New-type compound and preparation method and application thereof

-

, (2019/05/02)

The invention relates to a new-type compound. A structural formula of the new-type compound is as shown in a formula (1). The invention further provides a method for preparing the above new-type compound. The invention further provides an application of the above new-type compound or pharmaceutically acceptable salt thereof, a solvate or a drug compound for preparing a drug for treating a diseaserelated to activation of a hedgehog passage. The provided above new-type compound can be used for preparing the drug for treating the disease related to the activation of the hedgehog passage. The new-type compound is particularly capable of inhibiting growth of medulloblastoma well, and can be used for preparing a drug for treating medulloblastoma related diseases.

Compound as well as preparation method and application thereof

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, (2019/05/08)

The invention relates to a compound. The structural formula of the compound is shown as formula (1) in the description, wherein R is H or CH3. The invention further provides a preparation method of the compound and an application of the compound or pharmaceutically acceptable salt, solvate or drug complex of the compound to preparation of drugs for treating hedgehog pathway activation-related diseases. The compound can be used for preparing the drugs for treating the hedgehog pathway activation-related diseases, can well inhibit medulloblastoma growth and can be used for preparing drugs for treating medulloblastoma-related diseases.

Facile synthesis of trisubstituted thioindoles via a novel tricyclic thiolactone intermediate

Yang, Cangming,Kim, Ronald M.,Parmee, Emma R.,Tan, Qiang

experimental part, p. 1175 - 1185 (2009/10/02)

Methodology to conveniently and systematically prepare biologically active indole 9 is described. Copyright Taylor & Francis Group, LLC.

5-Lipoxygenase-Activating Protein Inhibitor

-

Page/Page column 42-43, (2009/12/05)

Described herein is the FLAP inhibitor 3-[3-tert-butylsulfanyl-1-[4-(6-ethoxy-pyridin-3-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid, or a pharmaceutically acceptable salt thereof. Also described are methods of p

5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITOR

-

Page/Page column 84, (2009/05/30)

Described herein are methods for the synthesis of 3-[5-(pyridin-2-ylmethoxy)-3-(2-methyl-2-propylthio)-1-[4-(2-methoxypyridin-5-yl)benzyl]-indol-2-yl]-2,2-dimethyl-propionic acid, pharmaceutically acceptable salts, pharmaceutically acceptable solvates the

INDOLE CARBOXYLATE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS

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, (2008/06/13)

Compounds of the structure where A is straight or branched divalent alkylene or divalent cycloalkylene, R1 is selected from hydrogen; alkylthio; optionally substituted phenylthio; optionally substituted phenylalkylthio; optionally substituted 2-, 3-, and 4-pyridyl; optionally substituted 2-, and 3-thienylthio; and optionally substituted 2-thiazolythio, R2 is selected from -COOB; -COOalkyl; -COOalkyl(carbocyclic aryl); -CONR5R6 ; -COR6 ; and -OH, R3 is selected from phenylalkyl and heteroarylalkyl, and R4 is selected from optionally substituted alkoxy(carbocyclic aryl); optionally substituted carbocyclic aryloxy; optionally substituted heteroarylalkoxy; and optionally substituted heteroaryloxy are potent inhibitors of lipoxygenase enzymes and thus inhibit the biosynthesis of of leukotrienes. These compounds are useful in the treatment or amelioration of allergic and inflammatory disease states

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