[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid

Base Information

• Chemical Name: [5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid
• CAS No.: 1002032-66-7
• Molecular Formula: C₉H₁₀F₂N₂O₂
• Molecular Weight: 216.187
• Hs Code.: 2933199090
• European Community (EC) Number: 888-294-4
• Mol file: 1002032-66-7.mol

Synonyms:1002032-66-7;[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid;2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic Acid;2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid;MFCD04967182;2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid;SCHEMBL22655933;(5-Cyclopropyl-3-difluoromethyl-pyrazol-1-yl)-acetic acid;KFYMLAWTVBTSLH-UHFFFAOYSA-N;CQB03266;AKOS000305959;CS-0439564;EN300-83647;Z1245633702;2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)aceticacid

Chemical Property of [5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 216.07103389
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)aceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC1C2=CC(=NN2CC(=O)O)C(F)F

Technology Process of [5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid

There total 4 articles about [5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic 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: 70.0%

ethyl 2-(5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl) acetate → 2-(5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl) acetic acid (1002032-66-7)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol; at 27 ℃; for 16h;

Reference yield:

Cyclopropyl methyl ketone (765-43-5) → 2-(5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl) acetic acid (1002032-66-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium hexamethyldisilazane / diethyl ether / 0.75 h / -78 - 27 °C / Inert atmosphere

1.2: 16 h / 27 °C

2.1: hydrazine hydrate; hydrogenchloride / ethanol / 6 h / 27 - 80 °C

3.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 48 h / 27 - 65 °C / Inert atmosphere

4.1: lithium hydroxide; water / tetrahydrofuran; methanol / 16 h / 27 °C

With hydrogenchloride; hydrazine hydrate; water; sodium hexamethyldisilazane; N-ethyl-N,N-diisopropylamine; lithium hydroxide; In tetrahydrofuran; methanol; diethyl ether; ethanol; acetonitrile;

Reference yield:

1-cyclopropyl-4,4-difluoro-1,3-butanedione → 2-(5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl) acetic acid (1002032-66-7)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrazine hydrate; hydrogenchloride / ethanol / 6 h / 27 - 80 °C

2: N-ethyl-N,N-diisopropylamine / acetonitrile / 48 h / 27 - 65 °C / Inert atmosphere

3: lithium hydroxide; water / tetrahydrofuran; methanol / 16 h / 27 °C

With hydrogenchloride; hydrazine hydrate; water; N-ethyl-N,N-diisopropylamine; lithium hydroxide; In tetrahydrofuran; methanol; ethanol; acetonitrile;

upstream raw materials:

Cyclopropyl methyl ketone

5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole

Refernces

• 1、 -. "QUINAZOLINYL-INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION". . . Retrieved 2020/05/28.
• 2、 -. "INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION". . . Retrieved 2020/06/10.