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9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is a complex organic compound with a unique molecular structure. It is characterized by its hexahydro-xanthene core, which is adorned with various functional groups, including a hydroxyphenyl and multiple methyl groups. 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione serves as a crucial intermediate in the synthesis of more complex molecules, particularly in the pharmaceutical industry.

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  • 37797-12-9 Structure
  • Basic information

    1. Product Name: 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
    2. Synonyms: 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
    3. CAS NO:37797-12-9
    4. Molecular Formula: C23H26O4
    5. Molecular Weight: 366.45014
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 37797-12-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione(CAS DataBase Reference)
    10. NIST Chemistry Reference: 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione(37797-12-9)
    11. EPA Substance Registry System: 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione(37797-12-9)
  • 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: 37797-12-9(Hazardous Substances Data)

37797-12-9 Usage

Uses

Used in Pharmaceutical Industry:
9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is used as a key intermediate in the synthesis of BMS 986187 (B596400), a selective positive allosteric modulator of the δ-opioid receptor. This application is significant because it targets the development of novel therapeutics for pain management and other conditions that can be alleviated through modulation of the δ-opioid receptor.
9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione's role in the synthesis of BMS 986187 highlights its importance in the pharmaceutical industry, as it contributes to the development of innovative drugs with potential applications in treating various medical conditions. The selective modulation of the δ-opioid receptor by BMS 986187 could lead to improved treatment options with fewer side effects compared to traditional opioid medications, making 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione a valuable asset in the ongoing quest for better pain management solutions.

Check Digit Verification of cas no

The CAS Registry Mumber 37797-12-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,7,7,9 and 7 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 37797-12:
(7*3)+(6*7)+(5*7)+(4*9)+(3*7)+(2*1)+(1*2)=159
159 % 10 = 9
So 37797-12-9 is a valid CAS Registry Number.

37797-12-9Relevant articles and documents

Facile synthesis of octahydroxanthenes by one-pot reaction under solvent-free condition

Devi, L. Ronibala,Chanu, L. Vartima,Chanu, I. Harimala,Singh, O. Mukherjee

, p. 1528 - 1530 (2016)

Synthesis of 1,8-dioxo-octahydroxanthenes by cyclocondensation of 5,5-dimethyl-1,3-cyclohexanedione and aromatic aldehydes using catalytic amount of CuCl2·2H2O under solvent free condition is reported. Structures of ten compounds are

In vitro tripanocidal effect of 1,8-dioxooctahydroxanthenes (xanthenodiones) and tetraketones and improvement of cardiac parameters in vivo

Carneiro, Ana Claudia Alvarenga,Costa, Guilherme de Paula,Horta, Aline Luciano,Mendon?a, Andréa Aparecida Santos,Menezes, Ana Paula de Jesus,Novaes, R?mulo Dias,Pereira, Wagner Luiz,Silva, Milene Lopes da,Souza, Debora Maria Soares de,Talvani, André,Teixeira, Róbson Ricardo

, p. 466 - 476 (2020)

Objective: Trypanosoma cruzi infection affects millions of people worldwide, and the drugs available for its treatment have limited efficacy. 1,8-Dioxooctahydroxanthenes and tetraketones are compounds with important biological applications. The aim of thi

A Rapid Ultrasound Synthesis of Xanthenediones Catalyzed by Boric acid in Ethanol-Water Medium: Single Crystal, DFT and Hirshfeld Surface Analysis of Two Representative Compounds

Begum, Noor Shahina,Panday, Anoop Kumar,Shashi, R.

, (2021/01/07)

A highly versatile and efficient ultrasound promoted synthesis of xanthenedione derivatives is achieved through condensation of dimedone with various aromatic aldehydes using boric acid as catalyst in ethanol-water medium. The advantages of this method be

Basic ionic liquid anchored on UiO-66-NH2 metal–organic framework: a stable and efficient heterogeneous catalyst for synthesis of xanthenes

Askari, Saeed,Khodaei, Mohammad Mehdi,Jafarzadeh, Mohammad

, p. 2881 - 2899 (2021/04/09)

In this study, the Zr-based metal–organic framework, UiO-66-NH2, was modified with ionic liquid (dibutylimidazolium bromide) to generate a platform for supporting an organocatalyst of guanidine. After an anion exchange, the prepared hybrid syst

Sustainable synthesis of 1,8-dioxooctahydroxanthenes in deep eutectic solvents (DESs)

Shaibuna,Abbas, Anshad,Kariyottu Kuniyil, Muhammed Jeneesh,Sreekumar

, p. 8335 - 8344 (2021/05/21)

Deep eutectic solvents are obtained by the fusion of two or more compounds: hydrogen bond donors (HBDs) and hydrogen bond acceptors (HBAs). They are formed by mixing the constituents with moderate heating (via hydrogen bond interactions). In this manuscript, the dual activities (as catalysts and reaction media) of six deep eutectic solvents were compared for the synthesis of 1,8-dioxooctahydroxanthenes at room temperature. Here DES 2, a combination of ZrOCl2·8H2O with ethylene glycol at a 1 : 2 ratio, was found to be the supreme catalyst among the six DESs and was reused for five batches. The photophysical properties of the xanthene derivatives were examined by UV-vis and fluorescence spectroscopy in THF. The synthesised molecules showed absorption maxima around 285-295 nm and emission maxima around 403-404 nm. The ground state dipole moments of all the molecules were calculated by the Debye-Guggenheim method using toluene as the non-polar solvent. All the synthesised molecules showed significant dipole moment values and are in good agreement with theoretical values.

Sulfonamide-Functionalized Porous Organic Framework as an Efficient Heterogeneous Acid Catalyst for One-Pot Preparation of 1,8-Dioxooctahydroxanthenes

Farsi, R.,Mohammadi, M. K.,Saghanezhad, S. J.

, p. 2002 - 2009 (2022/01/24)

Abstract: Herein, we report the sulfonamide-functionalized covalent organic framework (COF-SO3H), prepared by condensation of melamine and terephthalaldehyde and subsequent sulfonation, as an acidic porous catalyst for the one-pot preparation o

Incorporation of Keggin-based H3PW7Mo5O40into bentonite: synthesis, characterization and catalytic applications

Aher, Dipak S.,Khillare, Kiran R.,Shankarwar, Sunil G.

, p. 11244 - 11254 (2021/03/31)

The Keggin-based molybdo-substituted tungstophosphoric acid, H3[PW7Mo5O40]·12H2O, were synthesized and incorporated with a bentonite clay by using a wetness impregnation method. The catalysts were cha

ChCl: Gly (DESs) promote environmentally benign synthesis of xanthene derivatives and their antitubercular activity

Al-Dhfyan, Abdullah,Al-Tuwajiria, Hanaa M.,Ansari, Siddique Akber,Bhat, Mashooq A.,Naglah, Ahmed M.

, (2021/07/06)

A ChCl: Gly (DESs) promoted environmentally benign method was developed for the first time using the reaction of aryl aldehydes and dimedone to give excellent yields of xanthene analogues. The major application of this present protocol is the use of green

Heterogeneous SO3H@Fe3O4 magnetic nanocatalyst as an efficient and reusable medium for the synthesis of 3,3′-(arylmethylene)-bis-(4-hydroxycoumarin), bis-(indolyl)-methane, and 1,8-dioxo-octahydroxanthene derivatives

Wu, Xiaobo,Peng, Wan-Xi

, p. 2129 - 2148 (2020/06/24)

This work aimed to synthesize a new heterogeneous catalyst (SO3H@Fe3O4 magnetic nanoparticles) and the study of its catalytic behavior in synthesizing 3,3′-(arylmethylene)-bis-(4-hydroxycoumarin), bis-(indolyl)-methane, an

Synthesis of 1,8-dioxooctahydroxanthene derivatives using ionic liquids, quantum chemical studies and anticancer activity

Sangwan, Reetu,Saini, Monika,Verma, Ruchi,Kumar, Saurabh,Banerjee, Monisha,Jain, Sudha

, (2020/02/18)

An eco friendly and efficient method for the synthesis of 1,8-dioxooctahydroxanthene derivatives in excellent yield (~90%) using ionic liquids 1-butyl-3-methylimidazoliumtetrafluoroborate (BMIF), 1-butyl-3-methylimidazoliumbromide (BMIB) and 1-butyl-3-met

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