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Tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate is a complex carboxylate ester with a distinctive thieno[3,2-c]pyridine core, featuring a tert-butyl group attachment. This chemical compound is notable for its potential in medicinal chemistry and drug discovery, driven by its unique structural attributes and properties. Its synthesis and characterization are of significant interest to researchers in organic synthesis and chemical biology.

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  • 230301-73-2 Structure
  • Basic information

    1. Product Name: tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
    2. Synonyms: tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate;tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate;Thieno[3,2-c]pyridine-5(4H)-carboxylic acid, 6,7-dihydro-, 1,1-diMethylethyl ester;tert-butyl 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-carboxylate;tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-Butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)
    3. CAS NO:230301-73-2
    4. Molecular Formula: C12H17NO2S
    5. Molecular Weight: 239.33
    6. EINECS: N/A
    7. Product Categories: CHIRAL CHEMICALS;Heterocycle-Pyridine series
    8. Mol File: 230301-73-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 339.1 °C at 760 mmHg
    3. Flash Point: 158.9 °C
    4. Appearance: /
    5. Density: 1.173
    6. Vapor Pressure: 9.38E-05mmHg at 25°C
    7. Refractive Index: 1.552
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. PKA: -1.51±0.20(Predicted)
    11. CAS DataBase Reference: tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate(CAS DataBase Reference)
    12. NIST Chemistry Reference: tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate(230301-73-2)
    13. EPA Substance Registry System: tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate(230301-73-2)
  • 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: 230301-73-2(Hazardous Substances Data)

230301-73-2 Usage

Uses

Used in Medicinal Chemistry:
Tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate is utilized as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with specific therapeutic targets, contributing to the advancement of medicinal chemistry.
Used in Drug Discovery:
In the field of drug discovery, tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate serves as a valuable scaffold for the design and optimization of novel therapeutic agents. Its properties can be harnessed to create molecules with improved pharmacological profiles, enhancing drug efficacy and selectivity.
Used in Organic Synthesis:
Tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate is employed as a versatile building block in organic synthesis. Its reactivity and structural features make it suitable for the construction of complex organic molecules, facilitating the development of new synthetic routes and methodologies.
Used in Chemical Biology:
In chemical biology, tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate is used as a probe to study biological processes and interactions. Its unique structure allows for the investigation of molecular recognition events and the elucidation of biological mechanisms, providing insights into the development of new therapeutic strategies.
Used in Pharmaceutical Industry:
Tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate is used as a precursor in the pharmaceutical industry for the production of various drug candidates. Its potential applications in drug discovery and medicinal chemistry make it a valuable asset in the development of innovative therapeutic agents.
Used in Research and Development:
In the realm of research and development, tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate is used as a subject of study for understanding its synthesis, properties, and potential applications. Its unique structure and potential in medicinal chemistry and drug discovery make it an attractive target for further investigation and exploration.

Check Digit Verification of cas no

The CAS Registry Mumber 230301-73-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,3,0,3,0 and 1 respectively; the second part has 2 digits, 7 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 230301-73:
(8*2)+(7*3)+(6*0)+(5*3)+(4*0)+(3*1)+(2*7)+(1*3)=72
72 % 10 = 2
So 230301-73-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-10-9(8-13)5-7-16-10/h5,7H,4,6,8H2,1-3H3

230301-73-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

1.2 Other means of identification

Product number -
Other names -

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:230301-73-2 SDS

230301-73-2Downstream Products

230301-73-2Relevant articles and documents

A method for preparing prasugrel intermediate

-

Paragraph 0036; 0037, (2018/04/01)

The invention provides a preparation method of a Prasugrel intermediate. The method comprises the following steps: performing an amino protection reaction by taking 4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride as a raw material; and performing a halogenating reaction, an alkylation reaction, a sodium alkoxide deprotection reaction and an HCl gas acidifying reaction to obtain a target compound. The method is simple, advanced in process, small in the quantity of three wastes produced in a production process, low in environmental protection stress, high in yield, and suitable for industrial production.

Substituted oxazolidinone compounds and method and use thereof

-

Paragraph 0190; 0192; 0193, (2017/02/02)

The invention provides a substituted oxazolidinone compound represented by a formula (I) shown in specifications, or stereoisomers, tautomers, nitrogen oxides, solvates, metabolites and pharmaceutically acceptable salts or prodrugs thereof. The compound i

PRMT5 INHIBITORS AND USES THEREOF

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Paragraph 00602; 00603, (2016/04/20)

Described herein are compounds of Formula (A), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof:wherein Y1 is of formula (?) or formula (y):Ring Y is a 5- to 6-membered heteroaryl ring; and V4, V5, Rx, x, y, and n are as defined herein. Compounds of the present invention are useful for inhibiting PRMT5 activity. Methods of using the compounds for treating PRMT5-mediated disorders are also described.

Design, synthesis, and structure-activity relationship studies of novel fused heterocycles-linked triazoles with good activity and water solubility

Cao, Xufeng,Sun, Zhaoshuan,Cao, Yongbing,Wang, Ruilian,Cai, Tongkai,Chu, Wenjing,Hu, Wenhao,Yang, Yushe

supporting information, p. 3687 - 3706 (2014/05/20)

Triazoles with fused-heterocycle nuclei were designed and evaluated for their in vitro activity on the basis of the binding mode of albaconazole using molecular docking, along with SAR of antifungal triazoles. Tetrahydro-[1,2,4] triazolo[1,5-a]pyrazine and tetrahydro-thiazolo[5,4-c]pyridine nuclei were preferable to the other four fused-heterocycle nuclei investigated. Potent in vitro activity, broad spectrum and better water solubility were attained when triazoles containing nitrogen aromatic heterocycles were attached to these two nuclei. The most potent compounds 27aa and 45x, with low hERG inhibition and hepatocyte toxicity, both exhibited excellent activity against Candida, Cryptococcus, and Aspergillus spp., as well as selected fluconazole-resistant strains. A high water-soluble compound 58 (the disulfate salt of 45x) displayed unsatisfactory in vivo activity because of its poor PK profiles. Mice infected with C.alb. SC5314 and C.alb. 103 (fluconazole-resistant strain) and administered with 27aa displayed significantly improved survival rates. 27aa also showed favorable pharmacokinetic (PK) profiles.

IMPROVED PROCESS FOR THE PREPARATION OF PRASUGREL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS

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Page/Page column 14-15, (2009/06/27)

The present invention relates to an improved process for the preparation of prasugrel compound of formula- 1 and its pharmaceutically acceptable salts thereof.

PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS

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Page/Page column 156, (2009/05/28)

Provided herein are pyrrolopyrimidine compounds of Formula (I) wherein R1 is a heteroaryl containing at least one S atom, and optionally substituted on a ring carbon by one, two, or three substituents each independently selected from the group consisting of : halo, hydroxyl, nitro, formyl, formamido, cyano, sulfonyl, carboxy, amino, amido, acylamino, carbamoyl, sulphamoyl, alkyl, alkenyl, CF3, ureido, alkynyl, alkoxy, alkanoyl, alkoxycarbonyl, carbaldehyde oxime, N -alkylsulphamoyl, N-alkylcarbamoyl, -OR13R11 or -R13R11; R2 is phenyl or pyridinyl, wherein R2 optionally substituted on a ring carbon by one, two, or three substituents each indenpendently selected from the group consisting of : halo, hydroxyl, cyano, nitro, formyl, formamido, carboxy, sulfonyl, amino, amido, -N- alkyl -amino, carbamoyl, sulphamoyl, CF3, ureido, alkyl, alkenyl, alkynyl, alkoxy, alkanoyl, alkoxycarbonyl, N-alkylsulphamoyl, N-alkylcarbamoyl, -OR11, -OR12R11, or -R12R11; and methods of making and using the same. Such compounds may be used in inflammatory or myeloproliferative disorders. The disclosure also provides for treating cancer.

BISSULFONAMIDE COMPOUNDS AS AGONISTS OF GALR1, COMPOSITIONS, AND METHODS OF USE

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Page/Page column 74, (2008/06/13)

Embodiments of the present invention provide bissulfonamide compounds that are agonists of GalR1. The present invention further provides compositions comprising bissulfonamide compounds that are agonists of GalR1, and methods of use of such compounds and compositions.

Tetrahydrobenzindole derivatives

-

, (2008/06/13)

Compounds containing tetrahydrobenzindole which bind to serotonin receptor and are useful in treatment or prevention of disease induced by abnormality of central peripheral serotonin controlling functions.

Inhibitors of farnesyl-protein transferase

-

, (2008/06/13)

The present invention is directed to compounds which inhibit farnesyl-protein transferase (FTase) and the farnesylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invent

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