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4-Methoxy-2-methyl-nicotinonitrile, also known as Tolvaptan intermediate or 4-Methoxy-2-methyl-3-[(2-methyl-1H-indol-3-yl)carbonyl]pyridine, is a key chemical intermediate used in the synthesis of Tolvaptan, a medication for treating hyponatremia and fluid retention. This white to off-white crystalline powder plays a crucial role in the production of Tolvaptan, which functions by inhibiting the action of vasopressin, a hormone that regulates the body's water balance. Due to its potential hazards, 4-Methoxy-2-methyl-nicotinonitrile must be handled and stored with care.

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  • 902171-51-1 Structure
  • Basic information

    1. Product Name: 4-METHOXY-2-METHYL-NICOTINONITRILE
    2. Synonyms: 4-METHOXY-2-METHYL-NICOTINONITRILE
    3. CAS NO:902171-51-1
    4. Molecular Formula: C8H8N2O
    5. Molecular Weight: 148.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 902171-51-1.mol
  • Chemical Properties

    1. Melting Point: 117 °C
    2. Boiling Point: 278.0±35.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.12±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 3.81±0.18(Predicted)
    10. CAS DataBase Reference: 4-METHOXY-2-METHYL-NICOTINONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-METHOXY-2-METHYL-NICOTINONITRILE(902171-51-1)
    12. EPA Substance Registry System: 4-METHOXY-2-METHYL-NICOTINONITRILE(902171-51-1)
  • 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: 902171-51-1(Hazardous Substances Data)

902171-51-1 Usage

Uses

Used in Pharmaceutical Industry:
4-Methoxy-2-methyl-nicotinonitrile is used as a key intermediate in the synthesis of Tolvaptan for the treatment of hyponatremia and fluid retention. It contributes to the development of medications that help regulate the body's water balance by blocking the action of vasopressin, a hormone responsible for this process.
Used in Medicinal Chemistry Research:
4-Methoxy-2-methyl-nicotinonitrile serves as a valuable compound in medicinal chemistry research, where it is studied for its potential applications in the development of new drugs and therapeutic agents. Its unique chemical structure and properties make it an interesting subject for further exploration and innovation in the field of pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 902171-51-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,0,2,1,7 and 1 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 902171-51:
(8*9)+(7*0)+(6*2)+(5*1)+(4*7)+(3*1)+(2*5)+(1*1)=131
131 % 10 = 1
So 902171-51-1 is a valid CAS Registry Number.

902171-51-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methoxy-2-methylpyridine-3-carbonitrile

1.2 Other means of identification

Product number -
Other names 4-Methoxy-2-methylnicotinonitrile

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:902171-51-1 SDS

902171-51-1Relevant articles and documents

5-MEMBERED HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS

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Page/Page column 36-37, (2013/08/15)

The invention relates to a compound of the formula (I) in which the substituents are as defined in the specification; in free form or in salt form; to its preparation, to its use as medicament and to medicaments comprising it.

Synthesis of 1,4-dihydro-2-methyl-4-oxo-nicotinic acid: Ochiai's route failed

Ferlin, Maria Grazia,Di Marco, Valerio B.,Dean, Annalisa

, p. 6222 - 6227 (2007/10/03)

The synthesis of 1,4-dihydro-2-methyl- and 1,4-dihydro-1,2-dimethyl-4-oxo-nicotinic acids was accomplished following a route other than Ochiai's procedure, which yielded the isomer 1,6-dihydro-2-methyl-6-oxo-nicotinic acid ethyl ester, and not the 4-oxo-derivative, as reported. Analytical data confirmed the identity of the two isomer oxo-nicotinic acids. UV-vis and potentiometric preliminary data showed that Al(III) does not form complexes with 1,6-dihydro-2-methyl-6-oxo-nicotinic acid ethyl ester in solution, as expected, but with 1,4-dihydro-2-methyl-4-oxo-nicotinic acid.

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