Stmpoc

Base Information

• Chemical Name: Stmpoc
• CAS No.: 58537-73-8
• Molecular Formula: C13H19 N2 O5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00974095
• Nikkaji Number: J870.357D
• Mol file: 58537-73-8.mol

Synonyms:STMPOC;succinimidyl-2,2,5,5-tetramethyl-3-pyrroline-1-oxyl-3-carboxylate

Chemical Property of Stmpoc

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 66.92000
• Density: g/cm³
• LogP: 0.69400
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 283.12939671
• Heavy Atom Count: 20
• Complexity: 455

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C(N1[O])(C)C)C(=O)ON2C(=O)CCC2=O)C

Technology Process of Stmpoc

There total 2 articles about Stmpoc 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: 92.0%

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + 3-carboxy proxyl (46147-15-3,2154-68-9) → 1-oxyl-2,2,5,5-tetramethylpyrrolidinyl-3-carboxylic acid N-hydroxysuccinimide ester (58537-73-8)

Guidance literature:

With dmap; 1,2-dichloro-ethane; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1002/anie.202012852

Reference yield:

→ 3-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2,2,5,5-tetramethyl-1-pyrrolidinyl-oxyl (58537-73-8)

Guidance literature:

Reference yield: 87.0%

1-oxyl-2,2,5,5-tetramethylpyrrolidinyl-3-carboxylic acid N-hydroxysuccinimide ester (58537-73-8) + N,N'-(5-(4-aminobutoxy)-1,3-phenylene)bis(methylene)bis(1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)methanamine) (819066-98-3) → C45H55N8O3

Guidance literature:

In chloroform; N,N-dimethyl-formamide; at 20 ℃; for 36h;

DOI:10.1039/c4cc04159c

upstream raw materials:

1-hydroxy-pyrrolidine-2,5-dione

3-carboxy proxyl

Downstream raw materials:

C₁₉H₂₈N₃O₃

[4-(2,2,5,5-tetramethylpyrrolidin-1-oxyl-3-carbonyl)piperazin-1-yl]acetic acid ethyl ester

[4-(2,2,5,5-tetramethylpyrrolidin-1-oxyl-3-carbonyl)piperazin-1-yl]acetic acid acetoxymethyl ester

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