Benzyl Pyrazolidine-1-carboxylate

Base Information

• Chemical Name: Benzyl Pyrazolidine-1-carboxylate
• CAS No.: 67600-79-7
• Molecular Formula: C11H14N2O2
• Molecular Weight: 206.244
• DSSTox Substance ID: DTXSID60468667
• Nikkaji Number: J2.503.767G
• Wikidata: Q82295991
• Mol file: 67600-79-7.mol

Synonyms:Benzyl Pyrazolidine-1-carboxylate;67600-79-7;benzyl azaprolinate;pyrazolidine-1-carboxylic acid benzyl ester;SCHEMBL418844;BenzylPyrazolidine-1-carboxylate;DTXSID60468667;PKOQSEJQFOHVPB-UHFFFAOYSA-N;MFCD18909174;AKOS016013616;BS-50024

Chemical Property of Benzyl Pyrazolidine-1-carboxylate

Chemical Property:

• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

Benzylpyrazolidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CNN(C1)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl Pyrazolidine-1-carboxylate

There total 8 articles about Benzyl Pyrazolidine-1-carboxylate 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: 98.0%

pyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester (57699-89-5) → 1-(benzyloxycarbonyl)-pyrazolidine (67600-79-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/j.tetlet.2007.06.082

Reference yield: 91.0%

benzyl chloroformate (501-53-1,94274-21-2) + pyrazolidine dihydrogen chloride (89990-54-5) → 1-(benzyloxycarbonyl)-pyrazolidine (67600-79-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.3987/com-04-10153

Reference yield: 88.0%

4,5-dihydropyrazole-1-carboxylic acid benzyl ester (802982-86-1) → 1-(benzyloxycarbonyl)-pyrazolidine (67600-79-7)

Guidance literature:

With hydrogenchloride; borane pyridine; In ethanol; for 0.5h;

DOI:10.1021/jo060567j

upstream raw materials:

pyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester

benzyl chloroformate

pyrazolidine dihydrogen chloride

4,5-dihydropyrazole-1-carboxylic acid benzyl ester

Downstream raw materials:

4,5-dihydropyrazole-1-carboxylic acid benzyl ester

2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylic acid benzyl ester

2-(2-ethoxycarbonyl-acetyl)-pyrazolidine-1-carboxylic acid benzyl ester

2-methoxyoxalyl-pyrazolidine-1-carboxylic acid benzyl ester

Refernces

• 1、 -. "HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF". Page/Page column 115. . Retrieved 2010/08/18.
• 2、 Sherrill, Ronald G.. "The first synthesis of 1,5-diazacyclooctan-2-one and differentially protected 1,5-diazacyclooctanes". . p. 7053 - 7056. Retrieved 2008/03/12.