1-Boc-2-cbz-4-methylene-pyrazolidine

Base Information

• Chemical Name: 1-Boc-2-cbz-4-methylene-pyrazolidine
• CAS No.: 503072-28-4
• Molecular Formula: C17H22N2O4
• Molecular Weight: 318.373
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90514222
• Wikidata: Q82374416
• Mol file: 503072-28-4.mol

Synonyms:1-Boc-2-cbz-4-methylene-pyrazolidine;503072-28-4;1-O-benzyl 2-O-tert-butyl 4-methylidenepyrazolidine-1,2-dicarboxylate;1-Benzyl 2-tert-butyl 4-methylenepyrazolidine-1,2-dicarboxylate;1-Benzyl 2-(tert-butyl) 4-methylenepyrazolidine-1,2-dicarboxylate;1-BENZYL 2-TERT-BUTYL 4-METHYLIDENEPYRAZOLIDINE-1,2-DICARBOXYLATE;SCHEMBL4855147;DTXSID90514222;ZIBBYQDOFMVSTR-UHFFFAOYSA-N;MFCD09834625;1-Boc-2-CbZ-4-methylenepyraZolidine;AKOS027254609;4-methylenepyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester;AS-62853;CS-0037830;1-Benzyl2-tert-butyl4-methylenepyrazolidine-1,2-dicarboxylate;Benzyl tert-butyl 4-methylidenepyrazolidine-1,2-dicarboxylate

Chemical Property of 1-Boc-2-cbz-4-methylene-pyrazolidine

Chemical Property:

• PSA: 59.08000
• LogP: 3.22290
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 318.15795719
• Heavy Atom Count: 23
• Complexity: 464

Purity/Quality:

95% ^*data from raw suppliers

1-Benzyl2-tert-butyl4-methylenepyrazolidine-1,2-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC(=C)CN1C(=O)OCC2=CC=CC=C2

Technology Process of 1-Boc-2-cbz-4-methylene-pyrazolidine

There total 3 articles about 1-Boc-2-cbz-4-methylene-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: 96.0%

2-chloromethyl-3-chloroprop-1-ene (1871-57-4) + 1-tert-butoxycarbonyl-2-carbobenzyloxyhydrazine (57699-88-4) → 4-methylenepyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester (503072-28-4)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.06.001

Reference yield:

N-benzyloxycarbonyl-hydrazine (5331-43-1) → 4-methylenepyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester (503072-28-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / Et₃N / CH₂Cl₂

2: 96 percent / NaH / dimethylformamide

With sodium hydride; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.06.001

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → 4-methylenepyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester (503072-28-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / Et₃N / CH₂Cl₂

2: 96 percent / NaH / dimethylformamide

With sodium hydride; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.06.001

upstream raw materials:

2-chloromethyl-3-chloroprop-1-ene

1-tert-butoxycarbonyl-2-carbobenzyloxyhydrazine

di-tert-butyl dicarbonate

N-benzyloxycarbonyl-hydrazine

Downstream raw materials:

1-benzyl 2-tert-butyl 4-hydroxypyrazolidine-1.2-dicarboxylate

8-[2-(4-Fluoro-phenyl)-acetyl]-1,4-dioxa-7,8-diaza-spiro[4.4]nonane-7-carboxylic acid benzyl ester

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

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