CHEMBRDG-BB 4005123

Base Information

• Chemical Name: CHEMBRDG-BB 4005123
• CAS No.: 949034-45-1
• Molecular Formula: C6H6N2O3
• Molecular Weight: 154.125
• Hs Code.: 2933199090
• Mol file: 949034-45-1.mol

Synonyms:CHEMBRDG-BB 4005123;3-ACETYL-1H-PYRAZOLE-5-CARBOXYLIC ACID;3-acetyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE);5-acetyl-2H-pyrazole-3-carboxylic acid;5-ethanoyl-2H-pyrazole-3-carboxylic acid

Chemical Property of CHEMBRDG-BB 4005123

Chemical Property:

• Vapor Pressure: 5.41E-10mmHg at 25°C
• Boiling Point: 479.2°C at 760 mmHg
• Flash Point: 243.6°C
• PSA: 83.05000
• Density: 1.467g/cm³
• LogP: 0.31050

Purity/Quality:

99.9% ^*data from raw suppliers

3-ACETYL-1H-PYRAZOLE-5-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CHEMBRDG-BB 4005123

There total 6 articles about CHEMBRDG-BB 4005123 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: 94%

5-acetyl-1H-pyrazole-3-carboxylic acid ethyl ester (37622-89-2) → 5-acetyl-1H-pyrazole-3-carboxylic acid (949034-45-1,1297537-45-1)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃; for 2h;

Reference yield: 86%

diazoacetic acid ethyl ester (623-73-4) + methyl ethynyl ketone (1423-60-5) → 5-acetyl-1H-pyrazole-3-carboxylic acid (949034-45-1,1297537-45-1)

Guidance literature:

diazoacetic acid ethyl ester; methyl ethynyl ketone; In neat (no solvent); at 0 ℃;

With methanol; sodium hydroxide; at 20 ℃;

Reference yield: 80%

methyl 5-acetyl-1H-pyrazole-3-carboxylate → 5-acetyl-1H-pyrazole-3-carboxylic acid (949034-45-1,1297537-45-1)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; for 2h;

upstream raw materials:

5-acetyl-1H-pyrazole-3-carboxylic acid ethyl ester

5-(1-methyl-2-phenyl-vinyl)-1⁽²⁾H-pyrazole-3-carboxylic acid

diazoacetic acid ethyl ester

methyl ethynyl ketone

Downstream raw materials:

5-acetyl-N-{(2S)-1-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]propan-2-yl}-1H-pyrazole-3-carboxamide

N-{(2S)-1-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]propan-2-yl}-5-[(1RS)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide

(2S,4R)-4-[(5-acetyl-1H-pyrazole-3-carbonyl)amino]-5-(5'-chloro-2'-fluorobiphenyl-4-yl)-2-ethoxymethyl-2-methylpentanoic acid

5-acetyl-N-(2,6-diethylphenyl)-1H-pyrazole-3-carboxamide

Refernces

• 1、 -. "Pyrazoleamide derivative and synthesis method and application". Paragraph 0048; 0067; 0070. . Retrieved 2022/01/10.
• 2、 -. "PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS". Paragraph 0335-0339. . Retrieved 2014/03/24.