5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one

Basic Information

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CAS Number

109904-26-9

Molecular Formula

C26H23NOS

Molecular Weight

397.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

2100C (dec)

Boiling Point

548.2°C at 760 mmHg

SMILES

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C1CN(CC2=CC(=O)SC21)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H23NOS/c28-25-18-20-19-27(17-16-24(20)29-25)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,18,24H,16-17,19H2

InChIKey

QWWKINCXTMBNIV-UHFFFAOYSA-N

LogP

5.252600000000005

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

565

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

A894963
AC-25297
P12922
SCHEMBL1422976
5-trityl-5,6,7,7a-tetrahydro-4H-thieno [3,2-c]pyridin-2-one
109904-26-9
5-triphenylmethyl- 2- oxo-2, 4, 5, 6, 7, 7a-hexahydro thieno [3, 2-c] pyridine
5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
5-(triphenylmethyl)-2H,4H,5H,6H,7H,7aH-thieno[3,2-c]pyridin-2-one
AKOS015840556
QWWKINCXTMBNIV-UHFFFAOYSA-N
5-Trityl-5,6,7,7a-tetrahydrothieno-[3,2-c]pyridin-2(4H)-one
AS-51550
FT-0675061
J-002343
DTXSID00548311
5-(TRIPHENYLMETHYL)-4H,6H,7H,7AH-THIENO[3,2-C]PYRIDIN-2-ONE
5-Trityl-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one
Thieno[3,2-c]pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-5-(triphenylmethyl)-
J-516474
MFCD21496453
5-(Triphenylmethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one
5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridinone
5,6,7,7a-Tetrahydro-
THI050
Zidovudine impurity H
Prasugrel Intermediate 3
5-trityl-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(3H)-one
5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridin-2(4H)-one
Thieno[3,2-c]pyridin-2(4H)-one,5,6,7,7a-tetrahydro-5-(triphenylMethyl)-

MDL Number

MFCD12024648

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one (CAS: 109904-26-9)?

5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one is a crystalline compound with a molecular weight of approximately 417.4 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and ethanol. The compound is moderately reactive, particularly towards nucleophiles due to the electron-donating nature of the trityl group. It can undergo various transformations, including nucleophilic substitution and condensation reactions.

How is 5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one (CAS: 109904-26-9) typically synthesized?

5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one can be synthesized via a multistep process involving the condensation of 4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one with trityl chloride in the presence of a base such as triethylamine. The reaction is carried out under anhydrous conditions, typically in dichloromethane. The yield is usually around 75-80%, with good regioselectivity and high purity.

What industries use 5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one (CAS: 109904-26-9)?

5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one is primarily used in the pharmaceutical industry for the synthesis of various drug candidates, particularly in the development of compounds targeting specific biological pathways. It is also utilized in the polymer industry for the modification of polymer properties and in the semiconductor industry for the production of advanced materials with specific electrical and optical properties.

What precautions should be taken when handling 5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one (CAS: 109904-26-9)?

When handling 5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one, it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In the event of a spill, neutralize the area with a suitable absorbent material and dispose of it according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal procedures.