1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid
• CAS No.: 17607-80-6
• Molecular Formula: C12H12 N2 O2
• Molecular Weight: 216.239
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID60438921
• Wikidata: Q82254770
• Mol file: 17607-80-6.mol

Synonyms:17607-80-6;1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid;1-benzyl-5-methyl-1h-pyrazole-3-carboxylate;1-BENZYL-5-METHYLPYRAZOLE-3-CARBOXYLIC ACID;1H-Pyrazole-3-carboxylic acid, 5-methyl-1-(phenylmethyl)-;SCHEMBL1137143;DTXSID60438921;AIYMHQTUFQNZMJ-UHFFFAOYSA-N;AMY33116;MFCD01331300;AKOS015912402;FS-2078;FT-0736126;5-methyl-1-benzyl-1h-pyrazole-3-carboxylic acid;1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid, AldrichCPR

Chemical Property of 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid

Chemical Property:

• PSA: 55.12000
• LogP: 1.93800
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

99%, ^*data from raw suppliers

1-Benzyl-5-methyl-1H-pyrazole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1CC2=CC=CC=C2)C(=O)O

Technology Process of 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid

There total 9 articles about 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid 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: 92.0%

ethyl 1-benzyl-5-methyl-1H-pyrazole-3-carboxylate (17607-81-7) → 1-benzyl-5-methyl-1H-pyrazole-3-carboxylic acid (17607-80-6)

Guidance literature:

With sodium hydroxide; water; at 60 ℃; for 1h;

Reference yield: 17.0%

benzylhydrazine dihydrochloride (20570-96-1) + methyl 2,4-dioxopentanoate (20577-61-1) → 1-benzyl-5-methyl-1H-pyrazole-3-carboxylic acid (17607-80-6)

Guidance literature:

With acetic acid; at 90 ℃; for 4h;

Reference yield:

ethyl 1-benzyl-3-methyl-1H-pyrazole-5-carboxylate (17607-79-3) + ethyl 1-benzyl-5-methyl-1H-pyrazole-3-carboxylate (17607-81-7) → 1-benzyl-5-methyl-1H-pyrazole-3-carboxylic acid (17607-80-6) + 1-benzyl-3-methyl-1H-pyrazole-5-carboxylic acid (1141-70-4)

Guidance literature:

ethyl 1-benzyl-3-methyl-1H-pyrazole-5-carboxylate; ethyl 1-benzyl-5-methyl-1H-pyrazole-3-carboxylate; With potassium hydroxide; ethanol; water; for 18h; Heating / reflux;

With hydrogenchloride; In water; pH=3;

upstream raw materials:

methyl 5-methyl-1-(phenylmethyl)-1H-pyrazole-3-carboxylate

ethyl 1-benzyl-5-methyl-1H-pyrazole-3-carboxylate

ethyl 2,4-diketopentanoate

Benzylhydrazine

Downstream raw materials:

1-benzyl-5-methylpyrazole

1-benzyl-5-methyl-1H-pyrazole-3-carboxylic acid methoxymethylamide

2-benzyl-5-methyl-2H-pyrazole-3-carboxylic acid methoxymethylamide

1-(1-benzyl-5-methyl-2H-pyrazol-3-yl)ethanone

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 17607-80-6 5-methyl-1-(phenylmethyl)-1H-Pyrazole-3-carboxylic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send