1,3-Dimethyl-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 1,3-Dimethyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 25016-12-0
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.142
• Hs Code.: 2933199090
• European Community (EC) Number: 673-184-9
• DSSTox Substance ID: DTXSID20357205
• Nikkaji Number: J2.690.028J
• Wikidata: Q82137010
• Mol file: 25016-12-0.mol

Synonyms:1,3-Dimethyl-1H-pyrazole-4-carbaldehyde;25016-12-0;1,3-dimethylpyrazole-4-carbaldehyde;1H-Pyrazole-4-carboxaldehyde, 1,3-dimethyl-;MFCD00159635;1,3-Dimethyl-1H-pyrazole-4-carboxaldehyde;SCHEMBL308028;1,3-Dimethyl-4-formylpyrazole;DTXSID20357205;BCP26286;STK251872;AKOS000164345;AB04183;CS-W019994;DS-14375;SY030945;1,3-dimethyl-1 h-pyrazole-4-carbaldehyde;1,3-dimethyl-1H-pyrazol-4-carboxaldehyde;AM20090286;BB 0253869;FT-0739036;1,3-DIMETHYLPYRAZOLE-4-CARBOXALDEHYDE;EN300-55517;A21538;J-503914;1,3-Dimethyl-1H-pyrazole-4-carbaldehyde, AldrichCPR;F0001-0844;Z275170080

Chemical Property of 1,3-Dimethyl-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.0713mmHg at 25°C
• Melting Point: 50℃
• Boiling Point: 229oC at 760 mmHg
• Flash Point: 92.3oC
• PSA: 34.89000
• Density: 1.11g/cm3
• LogP: 0.54100
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dimethyl-1H-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C=C1C=O)C
• Uses: 1,3-Dimethyl-1H-pyrazole-4-carbaldehyde is used in preparation of the inhibitors of SARM1 for the treatment or preventing of axonal degeneration.

Technology Process of 1,3-Dimethyl-1H-pyrazole-4-carbaldehyde

There total 2 articles about 1,3-Dimethyl-1H-pyrazole-4-carbaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 16.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 5-chloro-4-formyl-1,3-dimethylpyrazole (27006-76-4) → 1,3-dimethyl-1H-pyrazole-4-carbaldehyde (25016-12-0) + 5-dimethylamino-1,3-dimethyl-1H-pyrazole-4-carbaldehyde (26990-64-7)

Guidance literature:

With potassium hydroxide; at 120 ℃; for 80h;

DOI:10.1081/SCC-120030741

Reference yield:

5-chloro-4-formyl-1,3-dimethylpyrazole (27006-76-4) → 1,3-dimethyl-1H-pyrazole-4-carbaldehyde (25016-12-0)

Guidance literature:

With palladium on activated charcoal; hydrogen; magnesium oxide; In methanol; at 25 ℃; for 16h; Temperature;

Reference yield: 90.0%

Diphenylphosphine oxide (4559-70-0) + 1,3-dimethyl-1H-pyrazole-4-carbaldehyde (25016-12-0) → C18H19N2O2P

Guidance literature:

In toluene; Inert atmosphere;

DOI:10.1016/j.mencom.2019.11.027

upstream raw materials:

N,N-dimethyl-formamide

5-chloro-4-formyl-1,3-dimethylpyrazole

Downstream raw materials:

4,4'-(p-phenylenedivinylene)bis<1,3-dimethylpyrazole>

Triphenylphosphine oxide

1,3-dimethyl-1H-pyrazole-4-carboxylic acid

4-bromo-1,3-dimethyl-1H-pyrazole