5-(Hydroxymethyl)pyrrolidin-3-ol

Base Information

• Chemical Name: 5-(Hydroxymethyl)pyrrolidin-3-ol
• CAS No.: 104587-51-1
• Molecular Formula: C5H11 N O2
• Molecular Weight: 117.148
• DSSTox Substance ID: DTXSID90587956
• Mol file: 104587-51-1.mol

Synonyms:5-(hydroxymethyl)pyrrolidin-3-ol;178105-24-3;4-Hydroxy-2-pyrrolidinemethanol;SCHEMBL152149;DTXSID90587956;CALDMMCNNFPJSI-UHFFFAOYSA-N;AKOS006291398;MCULE-1017614151;SB12596;DB-059160;DB-138501;CS-0354493;1H-Pyrrole-2-methanol, tetrahydro-4-hydroxy-;EN300-120376;F1905-6965

Chemical Property of 5-(Hydroxymethyl)pyrrolidin-3-ol

Chemical Property:

• Boiling Point: 266.1±20.0 °C(Predicted)
• PKA: 14.75±0.40(Predicted)
• PSA: 52.49000
• Density: 1.167±0.06 g/cm3(Predicted)
• LogP: -0.96970
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

99% ^*data from raw suppliers

(3R,5S)-5-(Hydroxymethyl)pyrrolidin-3-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CNC1CO)O

Technology Process of 5-(Hydroxymethyl)pyrrolidin-3-ol

There total 1 articles about 5-(Hydroxymethyl)pyrrolidin-3-ol 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:

(S)-Pyroglutaminol (17342-08-4) → (2S,4R)-4-hydroxy-2-hydroxymethyl-pyrrolidine (104587-51-1)

Guidance literature:

Multi-step reaction with 4 steps

1: toluene-4-sulfonic acid / toluene / 70 - 120 °C

2: lithium hexamethyldisilazane / tetrahydrofuran / -40 - 50 °C / Inert atmosphere

3: lithium aluminium tetrahydride / tetrahydrofuran / -20 - 20 °C / Inert atmosphere

4: palladium on activated charcoal; hydrogen / ethanol / 3 h / 7500.75 Torr / Autoclave

With lithium aluminium tetrahydride; palladium on activated charcoal; hydrogen; toluene-4-sulfonic acid; lithium hexamethyldisilazane; In tetrahydrofuran; ethanol; toluene;

Reference yield: 87.0%

3-(3-(4-chloro-5-fluoropyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazol-5-yl)isoxazole (1446358-48-0) + (2S,4R)-4-hydroxy-2-hydroxymethyl-pyrrolidine (104587-51-1) → C22H20F2N6O3

Guidance literature:

With triethylamine; In 1,4-dioxane; water; at 100 ℃; for 0.5h;

Reference yield: 48.0%

2-(3,5-bis-trifluoromethyl-phenyl)-N-[4-(2-bromo-phenyl)-6-chloro-pyridin-3-yl]-N-methyl-isobutyramide + (2S,4R)-4-hydroxy-2-hydroxymethyl-pyrrolidine (104587-51-1) → (2S,4R)-2-(3,5-bis-trifluoromethyl-phenyl)-N-[4-(2-bromo-phenyl)-6-(4-hydroxy-2-hydroxymethyl-pyrrolidin-1-yl)-pyridin-3-yl]-N-methyl-isobutyramide

Guidance literature:

In dimethyl sulfoxide; at 130 ℃; for 24h;

upstream raw materials:

(S)-Pyroglutaminol

Downstream raw materials:

10-(2,4-dimethoxybenzyl)-(R)-2-hydroxy-7-oxo-2,3,(S)-3a,4,7,10-hexahydro-1H-5-oxa-10,11,11b-triazacyclopenta[a]anthracene-8-carboxylic acid

10-(2,4-dimethoxybenzyl)-(S)-2-amino-7-oxo-2,3,(S)-3a,4,7,10-hexahydro-1H-5-oxa-10,11,11b-triazacyclopenta[a]anthracene-8-carboxylic acid

1-(2,4-dimethoxybenzyl)-6-fluoro-7-[(R)-4-hydroxy-(S)-2-hydroxymethylpyrrolidin-1-yl]-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxylic acid

1-(2-{(2S,4R)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-4-[(4-methoxy-phenyl)-diphenyl-methoxy]-pyrrolidin-1-yl}-2-oxo-ethyl)-5-methyl-1H-pyrimidine-2,4-dione

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