3-propyl-1H-pyrazole

Base Information

• Chemical Name: 3-propyl-1H-pyrazole
• CAS No.: 7231-31-4
• Molecular Formula: C₆H₁₀N₂
• Molecular Weight: 110.159
• Hs Code.: 2933199090
• European Community (EC) Number: 832-450-6
• DSSTox Substance ID: DTXSID30222657
• Nikkaji Number: J57.826F
• Wikidata: Q83100965
• Mol file: 7231-31-4.mol

Synonyms:3-propyl-1H-pyrazole;7231-31-4;5-propyl-1H-pyrazole;Pyrazole, 3-propyl-;3-Propylpyrazole;BRN 0001723;MFCD01693435;4-23-00-00633 (Beilstein Handbook Reference);propylpyrazole;SCHEMBL344424;AMY6454;DTXSID30222657;AKOS003673890;AS-77414;SY147130;LS-128556;CS-0223228;FT-0688799;A25510;EN300-114409

Chemical Property of 3-propyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.151mmHg at 25°C
• Boiling Point: 222.4°C at 760 mmHg
• Flash Point: 94.9°C
• PSA: 28.68000
• Density: 0.998g/cm³
• LogP: 1.36220
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.084398327
• Heavy Atom Count: 8
• Complexity: 63.5

Purity/Quality:

97% ^*data from raw suppliers

3-propyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=NN1

Technology Process of 3-propyl-1H-pyrazole

There total 6 articles about 3-propyl-1H-pyrazole 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:

2-Pentanone (107-87-9) + formic acid ethyl ester (109-94-4) → 3-n-propylpyrazole (7231-31-4)

Guidance literature:

With sodium; anschl. Erhitzen mit N₂H₄+H₂O und wss. NaOH;

DOI:10.1021/jo01364a013

Reference yield:

(1E)-1-chlorohex-1-en-3-one (58953-13-2) → 3-n-propylpyrazole (7231-31-4)

Guidance literature:

With diethyl ether; hydrazine hydrate;

Reference yield:

1-hydroxy-hex-1-en-3-one → 3-n-propylpyrazole (7231-31-4)

Guidance literature:

With ethanol; hydrazine hydrate;

upstream raw materials:

(1E)-1-chlorohex-1-en-3-one

2-Pentanone

formic acid ethyl ester

propyl bromide

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