3-cyclopropyl-1H-pyrazole

Base Information

• Chemical Name: 3-cyclopropyl-1H-pyrazole
• CAS No.: 100114-57-6
• Molecular Formula: C6H8N2
• Molecular Weight: 108.143
• Hs Code.: 2933119000
• European Community (EC) Number: 675-353-2,826-238-2
• DSSTox Substance ID: DTXSID10905214
• Nikkaji Number: J2.129.296F
• Wikidata: Q72461115
• Mol file: 100114-57-6.mol

Synonyms:3-cyclopropyl-1H-pyrazole;100114-57-6;5-Cyclopropyl-1H-pyrazole;5-cyclopropylpyrazole;1071497-79-4;1H-Pyrazole, 3-cyclopropyl-;3-cyclopropylpyrazole;MFCD06739298;MFCD04970938;1H-Pyrazole,3-cyclopropyl-;SCHEMBL1608843;DTXSID10905214;TXWDVWSJMDFNQY-UHFFFAOYSA-N;BCP02748;STK349804;AKOS000311146;AKOS002160523;3-Cyclopropyl-1H-pyrazole, AldrichCPR;FH-0702;SB16019;NCGC00340626-01;AM808021;SY004983;CS-0006099;FT-0687742;FT-0730544;EN300-54201;A25432;3-Cyclopropyl-1H-pyrazole;5-Cyclopropylpyrazole;AB01187101-03;A895694;W-204347;Z336080424

Chemical Property of 3-cyclopropyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.0158mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 264.5 °C at 760 mmHg
• PKA: 14.56±0.10(Predicted)
• Flash Point: 126.9 °C
• PSA: 28.68000
• Density: 1.215 g/cm³
• LogP: 1.28710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 108.068748264
• Heavy Atom Count: 8
• Complexity: 88.5

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=CC=NN2

Technology Process of 3-cyclopropyl-1H-pyrazole

There total 7 articles about 3-cyclopropyl-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: 80.0%

1-cyclopropyl-3-(dimethylamino)prop-2-en-1-one (21666-68-2) → 3-cyclopropyl-1H-pyrazole (100114-57-6)

Guidance literature:

With hydrazine dihydrochloride; In methanol; water; for 2h; Cooling with ice; Reflux;

Reference yield: 60.0%

2,2-dimethyl-propionic acid 3-cyclopropyl-1-ethoxythiocarbonylsulfanyl-3-oxo-propyl ester → 3-cyclopropyl-1H-pyrazole (100114-57-6)

Guidance literature:

With hydrazine hydrate; acetic acid; at 20 ℃; for 0.75h;

DOI:10.1021/ol047892i

Reference yield: 27.0%

4,4',5,5'-tetrahydro-3H,3'H-3,3'-bipyrazole (21387-33-7) → 3-cyclopropyl-1H-pyrazole (100114-57-6) + 3,3'-bi(1H-pyrazole) (2384-02-3)

Guidance literature:

With manganese(IV) oxide; In benzene; at 20 ℃; for 10h;

DOI:10.1134/S1070428009060293

upstream raw materials:

4,4',5,5'-tetrahydro-3H,3'H-3,3'-bipyrazole

Cyclopropylacetylene

diazomethyl-trimethyl-silane

Cyclopropyl methyl ketone

Downstream raw materials:

3-cyclopropyl-4-nitro-1H-pyrazole

1-methyl-5-cyclopropyl-pyrazole

1-methyl-3-cyclopropylpyrazole

Refernces

• 1、 -. "Preparation technology of 3-cyclopropyl-1-methyl-1H-pyrazole-4-formaldehyde". . . Retrieved 2019/01/14.
• 2、 -. "PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS". Page/Page column 84. . Retrieved 2012/05/31.