trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl

Base Information

Chemical Name:trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl
CAS No.:229621-07-2
Molecular Formula:C₁₀H₂₀NO₃
Molecular Weight:202.274
Hs Code.:
DSSTox Substance ID:DTXSID70573094
Wikidata:Q82461681
Mol file:229621-07-2.mol

Synonyms:trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl;[(3R,4R)-1-hydroxy-4-(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-3-yl]methanol;(3R,4R)-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-ol;DTXSID70573094;AKOS030241818

Suppliers and Price of trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl
100mg
$ 1390.00

TRC
trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl
10mg
$ 180.00

American Custom Chemicals Corporation
TRANS-3,4-BIS(HYDROXYMETHYL)-2,2,5,5-TETRAMETHYLPYRROLIDIN-1-YLOXYL 95.00%
50MG
$ 2194.50

American Custom Chemicals Corporation
TRANS-3,4-BIS(HYDROXYMETHYL)-2,2,5,5-TETRAMETHYLPYRROLIDIN-1-YLOXYL 95.00%
10MG
$ 779.63

Total 3 raw suppliers

Chemical Property of trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:189-191°C
Refractive Index:1.485
Boiling Point:324.574°C at 760 mmHg
Flash Point:155.607°C
PSA：43.70000
Density:1.066g/cm³
LogP:0.35960
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:203.15214353
Heavy Atom Count:14
Complexity:193

Purity/Quality:

97% ^*data from raw suppliers

trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(C(C(N1O)(C)C)CO)CO)C
Isomeric SMILES:CC1([C@@H]([C@H](C(N1O)(C)C)CO)CO)C
Uses A spin label

Technology Process of trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl

There total 2 articles about trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl 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: 80.0%

: 229621-04-9
trans-4-Formyl-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl radical

: 229621-07-2
trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl radical

Guidance literature:: With sodium tetrahydroborate; In ethanol; for 0.5h; Ambient temperature;
DOI:10.1055/s-1999-3502

Reference yield:

: 119580-75-5
trans-3-methoxycarbonyl-2,2,5,5-tetramethyl-4-nitromethylpyrrolidin-1-oxyl

: 229621-07-2
trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl radical

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) KOH, 2.) KMnO₄, MgSO₄ / 1.) MeOH, 0 deg C, 15 min, 2.) MeOH, H₂O, 0 deg C, 2 h

2: 80 percent / NaBH₄ / ethanol / 0.5 h / Ambient temperature

With potassium hydroxide; sodium tetrahydroborate; potassium permanganate; magnesium sulfate; In ethanol;
DOI:10.1055/s-1999-3502

Reference yield:

: 229621-07-2
trans-3,4-Bis(hydroxymethyl)-2,2,5,5-tetramethylpyrrolidin-1-yloxyl radical

: 229621-21-0
2,5-Dihydro-3,4-bis(methanesulfonylthiomethyl)-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxyl radical

Guidance literature:: Multi-step reaction with 5 steps

1: Et₃N / CH₂Cl₂ / 1 h / Ambient temperature

2: NaI / tetrahydrofuran / 48 h / Heating

3: 82 percent / NaOH, H₂O / ethanol / 0.5 h / 78 °C

4: 1.) HCl, 2.) Br₂ / 1.) EtOH, 78 deg C, 30 min, 2.) CHCl₃, 61 deg C, 30 min

5: 58 percent / ethanol; CH₂Cl₂ / 0.5 h / Heating

With hydrogenchloride; sodium hydroxide; water; bromine; triethylamine; sodium iodide; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1055/s-1999-3502