Pyrazolidine

Base Information

• Chemical Name: Pyrazolidine
• CAS No.: 504-70-1
• Molecular Formula: C3H8 N2
• Molecular Weight: 72.1099
• Hs Code.: 2933990090
• UNII: Y0MA3161MR
• DSSTox Substance ID: DTXSID30198444
• Nikkaji Number: J247.836F
• Wikipedia: Pyrazolidine
• Wikidata: Q411281
• Metabolomics Workbench ID: 54830
• Mol file: 504-70-1.mol

Synonyms:Pyrazolidine;504-70-1;1,2-diazacyclopentane;tetrahydropyrazole;C3H8N2;UNII-Y0MA3161MR;Y0MA3161MR;CHEBI:33138;DTXSID30198444;AKOS022529442;SB37386;FT-0756792;EN300-225337;A851575;Q411281

Chemical Property of Pyrazolidine

Chemical Property:

• Vapor Pressure: 99.9mmHg at 25°C
• Melting Point: 10-12℃
• Refractive Index: 1.4796 (estimate)
• Boiling Point: 76.6°Cat760mmHg
• PKA: 9.70±0.20(Predicted)
• Flash Point: °C
• PSA: 24.06000
• Density: 0.892g/cm³
• LogP: 0.14190
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 72.068748264
• Heavy Atom Count: 5
• Complexity: 24.1

Purity/Quality:

98%Min ^*data from raw suppliers

Pyrazolidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNNC1

Technology Process of Pyrazolidine

There total 9 articles about Pyrazolidine 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: 72.0%

→ pyrazolidine (504-70-1) + 1,2-dimethyl-3,5-diphenylpyrazolidine (58553-66-5)

Guidance literature:

Reference yield:

ethanol (64-17-5) + 1,3-Dichloropropane (142-28-9) + hydrazine (302-01-2,78206-91-4,119775-10-9,75013-58-0) → pyrazolidine (504-70-1) + 1,5-diazacyclooctane (5687-07-0)

Guidance literature:

DOI:10.1021/ja01241a009

Reference yield:

1,3-Dichloropropane (142-28-9) → pyrazolidine (504-70-1)

Guidance literature:

With ethanol; hydrazine;

DOI:10.1021/ja01241a009

upstream raw materials:

N,N'-diisobutyryltetrahydropyrazole

1,3-Dichloropropane

Trimethylenediamine

1,3-dibromo-propane

Downstream raw materials:

1-<(4-Chlorphenoxy)thiocarbonyl>pyrazolidin

1-<(N-Ethyl)thiocarbamoyl>pyrazolidin

1--pyrazolidin

tert-butyl pyrazolidine-1-carboxylate

Refernces

• 1、 -. "NOVEL AROMATIC COMPOUND AND POLYARYLENE COPOLYMER HAVING NITROGEN-CONTAINING HETEROCYCLE INCLUDING SULFONIC ACID GROUP IN SIDE CHAIN". . . Retrieved 2010/06/22.
• 2、 Wilkinson, Douglas E.,Thomas IV, Bert E.,Limburg, David C.,Holmes, Agnes,Sauer, Hansjorg,Ross, Douglas T.,Soni, Raj,Chen, Yi,Guo, Hong,Howorth, Pamela,Valentine, Heather,Spicer, Dawn,Fuller, Mike,Steiner, Joseph P.,Hamilton, Gregory S.,Wu, Yong-Qian. "Synthesis, molecular modeling and biological evaluation of aza-proline and aza-pipecolic derivatives as FKBP12 ligands and their in vivo neuroprotective effects". . p. 4815 - 4825. Retrieved 2007/10/03.