1-(4'-Chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole

Base Information

• Chemical Name: 1-(4'-Chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole
• CAS No.: 5635-98-3
• Molecular Formula: C11H9ClN2O2
• Molecular Weight: 138.166
• Hs Code.: 2909500090
• DSSTox Substance ID: DTXSID00357960
• Nikkaji Number: J3.257.007K
• Wikidata: Q82138173
• Mol file: 5635-98-3.mol

Synonyms:1-(4'-chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole;2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbaldehyde;ST50995738;SCHEMBL11563116;SCHEMBL11685795;DTXSID00357960;HMS1583G13;AKOS000442856;AB00091427-01;SR-01000215537;SR-01000215537-1

Chemical Property of 1-(4'-Chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole

Chemical Property:

• Vapor Pressure: 5.34E-06mmHg at 25°C
• Boiling Point: 380.7°C at 760 mmHg
• PKA: 9.77±0.35(Predicted)
• Flash Point: 184.1°C
• PSA: 52.90000
• Density: 1.44g/cm³
• LogP: 2.00500
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.0352552
• Heavy Atom Count: 16
• Complexity: 346

Purity/Quality:

97% ^*data from raw suppliers

2-(Methoxymethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C=O

Technology Process of 1-(4'-Chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole

There total 44 articles about 1-(4'-Chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole 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: 98.0%

methanol (67-56-1) + salicylic alcohol (90-01-7) → 2-(methoxymethyl)phenol (5635-98-3)

Guidance literature:

at 150 ℃; for 1h; Pyrex pressure bottle;

Reference yield: 98.0%

methanol (67-56-1) + 2-methyl-benzyl alcohol (89-95-2) → 2-(methoxymethyl)phenol (5635-98-3)

Guidance literature:

With Decaborane; at 20 ℃; for 30h;

DOI:10.1016/S0040-4039(99)01229-0

Reference yield: 94.0%

methanol (67-56-1) + 2-(tert-butyldimethylsilyloxy)benzyl nitrate (1354018-44-2) → 2-(methoxymethyl)phenol (5635-98-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at -78 - 20 ℃; for 0.2h; Inert atmosphere;

DOI:10.1021/ol203196n

upstream raw materials:

methanol

salicylic alcohol

2-methoxymethylaniline

2,4-dibromo-6-methoxymethyl-phenol

Downstream raw materials:

6-methylene-cyclohexa-2,4-dienone

4-(phenylimino-methyl)-phenol

salicylic alcohol

1-methyl pyridinium iodide