2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic acid N-hydroxysuccinimide ester

Base Information

• Chemical Name: 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic acid N-hydroxysuccinimide ester
• CAS No.: 37558-29-5
• Molecular Formula: C13H18N2O5
• Molecular Weight: 282.2924
• Hs Code.: 29339980
• DSSTox Substance ID: DTXSID80958631
• Nikkaji Number: J130.777K
• Mol file: 37558-29-5.mol

Synonyms:2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic acid N-hydroxysuccinimide ester;DTXSID80958631;MFCD00066369;AKOS040768458;FT-0673454;W-200332;W-200446;[3-[(2,5-Dioxopyrrolizino)oxycarbonyl]-2,2,5,5-tetramethyl-3-pyrroline-1-yloxy]radical

Chemical Property of 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic acid N-hydroxysuccinimide ester

Chemical Property:

• Melting Point: 175-178 °C
• Boiling Point: 400.4 °C at 760 mmHg
• Flash Point: 195.9 °C
• PSA: 66.92000
• Density: 1.36 g/cm³
• LogP: 0.61410
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Methanol
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 281.11374665
• Heavy Atom Count: 20
• Complexity: 505

Purity/Quality:

99% ^*data from raw suppliers

1-Oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylateN-HydroxysuccinimideEster ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=C(C(N1[O])(C)C)C(=O)ON2C(=O)CCC2=O)C
• Uses: A highly amine reactive spin-label A highly amine reactive spin-label.

Technology Process of 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic acid N-hydroxysuccinimide ester

There total 1 articles about 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic acid N-hydroxysuccinimide ester 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:

→ 2,5-dioxypyrrolidin-1-yl 2,5-dihydro-2,2,5,5-tetramethyl-1-oxyl-1H-pyrrole-3-carboxylate (37558-29-5)

Guidance literature:

entspr. Pyrrolin, Bernsteinsaeurederivat;

Reference yield: 97.0%

(4-(1,2,4,5-tetrazin-3-yl)phenyl)methanamine hydrochloride (1092689-33-2) + 2,5-dioxypyrrolidin-1-yl 2,5-dihydro-2,2,5,5-tetramethyl-1-oxyl-1H-pyrrole-3-carboxylate (37558-29-5) → 1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid 4-(1,2,4,5) tetrazin-3-yl-benzylamide

Guidance literature:

With triethylamine; In dimethyl sulfoxide; at 20 ℃; for 1h; Inert atmosphere; Darkness;

DOI:10.1039/c8ob02597e

Reference yield: 48.0%

Glycine xylidide (18865-38-8) + 2,5-dioxypyrrolidin-1-yl 2,5-dihydro-2,2,5,5-tetramethyl-1-oxyl-1H-pyrrole-3-carboxylate (37558-29-5) → C19H26N3O3 (102132-43-4)

Guidance literature:

In chloroform; for 2h; Heating;

DOI:10.1021/jm00157a005

Downstream raw materials:

C₁₉H₂₆N₃O₃