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Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate is a bicyclic chemical compound with the molecular formula C11H15NO2. It features a carboxylate group and a cyanide substituent, making it a versatile building block in organic chemistry and a key intermediate in the synthesis of pharmaceuticals and agrochemicals.

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  • 54202-05-0 Structure
  • Basic information

    1. Product Name: Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate
    2. Synonyms: Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate
    3. CAS NO:54202-05-0
    4. Molecular Formula: C11H15NO2
    5. Molecular Weight: 193.2423
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 54202-05-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 292.6±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.13±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate(CAS DataBase Reference)
    10. NIST Chemistry Reference: Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate(54202-05-0)
    11. EPA Substance Registry System: Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate(54202-05-0)
  • 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: 54202-05-0(Hazardous Substances Data)

54202-05-0 Usage

Uses

Used in Pharmaceutical Synthesis:
Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate is used as a key intermediate for the synthesis of various medicines. Its unique structure allows for the development of complex molecules with potential therapeutic applications.
Used in Agrochemical Production:
Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate is also utilized in the production of agrochemicals, where it serves as an important intermediate in the creation of effective and targeted products for agricultural use.
Used in Organic Chemistry:
Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate is used as a building block in organic chemistry for the construction of complex molecules. Its presence in the synthesis process contributes to the development of innovative and advanced chemical structures.

Check Digit Verification of cas no

The CAS Registry Mumber 54202-05-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,4,2,0 and 2 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 54202-05:
(7*5)+(6*4)+(5*2)+(4*0)+(3*2)+(2*0)+(1*5)=80
80 % 10 = 0
So 54202-05-0 is a valid CAS Registry Number.

54202-05-0Relevant articles and documents

COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF

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, (2022/03/14)

A compound of formula (I), a preparation method therefor, a pharmaceutical composition containing a derivative thereof, and the therapeutic uses thereof, especially inhibiting PGE2/EP4 signalling transduction and the uses thereof for treating cancer, acute or chronic pain, migraine, osteoarthritis, rheumatoid arthritis, gout, bursitis, ankylosing spondylitis, primary dysmenorrhea, tumour or arteriosclerosis.

SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS

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, (2020/08/28)

Disclosed are compounds of Formula (I): or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt or solvate thereof, wherein Q is: (i) halo, cyano, hydroxyl, NRxRx, C(O)OH, C(O)NH2, C1-6 alkyl substituted with zero to 6 R1a, or P(O)R1cR1c; or (ii) L R1; and A, X1, X2, X3, X4, Z1, Z2, R1, R1a, R1c, R2, R3a, R3b, Rx, L, a, b, and d are defined herein. Also disclosed are methods of using these compounds to modulate the activity of farnesoid X receptor (FXR); pharmaceutical compositions comprising these compounds; and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS

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, (2020/08/28)

Disclosed are compounds of Formula (I) or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt or solvate thereof, wherein Q is a 5-membered heterocyclyl or 5-membered heteroaryl having 1 to 4 heteroatoms independently selected from N, O, and S, substituted with zero to 4 R1; and A, X1, X2, X3, X4, Z1, Z2, R1, R2, R3a, R3b, a, b, and d are defined herein. Also disclosed are methods of using these compounds to modulate the activity of farnesoid X receptor (FXR); pharmaceutical compositions comprising these compounds; and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS

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Page/Page column 282; 283; 379; 618; 619, (2020/08/28)

Disclosed are compounds of Formula (I) or a stereoisomer, a tautomer, or a salt or solvate thereof, wherein all the variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. Also disclosed are pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS

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Page/Page column 209-210, (2020/08/28)

Disclosed are compounds of Formula (I): or a stereoisomer, a tautomer, or a salt or solvate thereof, wherein Q is C2-6 alkenyl or C2-6 alkynyl, each substituted with zero to 2 R1; and the other variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. Also disclosed are pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

HETEROBICYCLIC METALLOPROTEASE INHIBITORS

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Page/Page column 178-179, (2008/12/05)

The present invention relates generally to heterobicyclic containing pharmaceutical agents, and in particular, to heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic metalloprotease inhibiting compounds that exhibit an increased potency in relation to currently known metalloprotease inhibitors.

GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS

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Page/Page column 82-83, (2008/12/08)

Compounds represented by formula (I): are inhibitors of gut microsomal triglyceride transfer protein. Such compounds are useful in treating diseases or conditions such as diabetes and obesity, along with patients are risk for developing such diseases or conditions.

HETEROBICYCLIC METALLOPROTEASE INHIBITORS

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Page/Page column 166, (2008/06/13)

The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP- 13 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP- 13 inhibitors.

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