3-(Oxetan-3-yl)propan-1-ol

Base Information

• Chemical Name: 3-(Oxetan-3-yl)propan-1-ol
• CAS No.: 251922-47-1
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• DSSTox Substance ID: DTXSID80441634
• Nikkaji Number: J1.173.416B
• Wikidata: Q72498393
• Mol file: 251922-47-1.mol

Synonyms:3-(oxetan-3-yl)propan-1-ol;251922-47-1;3-Oxetanepropanol;3-(3-Hydroxypropyl)oxetane;SCHEMBL16399738;DTXSID80441634;AMY19719;MFCD17215850;AKOS016001271;PB42396;AS-79356;CS-0183077

Chemical Property of 3-(Oxetan-3-yl)propan-1-ol

Chemical Property:

• Boiling Point: 210℃
• Flash Point: 91℃
• PSA: 29.46000
• Density: 1.022
• LogP: 0.40530
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 59.5

Purity/Quality:

99%, ^*data from raw suppliers

3-(OXETAN-3-YL)PROPAN-1-OL 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(CO1)CCCO

Technology Process of 3-(Oxetan-3-yl)propan-1-ol

There total 4 articles about 3-(Oxetan-3-yl)propan-1-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: 56.0%

3-(3-(benzyloxy)propyl)oxetane (1027226-03-4) → 3-(oxetan-3-yl)propan-1-ol (251922-47-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 48h;

Reference yield:

Ethyl 5-benzyloxy-2-(ethoxycarbonyl)pentanoate (82258-55-7) → 3-(oxetan-3-yl)propan-1-ol (251922-47-1)

Guidance literature:

Multi-step reaction with 4 steps

1: LiAlH₄ / tetrahydrofuran / 5 h / Heating

2: pyridine / CH₂Cl₂ / 8 h / 20 °C

3: NaH / dimethylformamide / 3 h / 20 °C

4: H₂ / 10 percent Pd/C / ethanol / 96 h

With pyridine; lithium aluminium tetrahydride; hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide; 1: Reduction / 2: Substitution / 3: Cyclization / 4: Hydrogenolysis;

DOI:10.1248/cpb.47.1334

Reference yield:

2-(3-(benzyloxy)propyl)propane-1,3-diol (132970-27-5) → 3-(oxetan-3-yl)propan-1-ol (251922-47-1)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / CH₂Cl₂ / 8 h / 20 °C

2: NaH / dimethylformamide / 3 h / 20 °C

3: H₂ / 10 percent Pd/C / ethanol / 96 h

With pyridine; hydrogen; sodium hydride; palladium on activated charcoal; In ethanol; dichloromethane; N,N-dimethyl-formamide; 1: Substitution / 2: Cyclization / 3: Hydrogenolysis;

DOI:10.1248/cpb.47.1334

upstream raw materials:

3-(3-(benzyloxy)propyl)oxetane

Ethyl 5-benzyloxy-2-(ethoxycarbonyl)pentanoate

2-(3-(benzyloxy)propyl)propane-1,3-diol

Downstream raw materials:

(S)-(tetrahydro-2H-pyran-3-yl)methanol

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