Oxetan-2-ylmethanol

Base Information

• Chemical Name: Oxetan-2-ylmethanol
• CAS No.: 61266-70-4
• Molecular Formula: C4H8O2
• Molecular Weight: 88.1063
• Hs Code.: 2932999099
• European Community (EC) Number: 807-688-9
• DSSTox Substance ID: DTXSID70484292
• Nikkaji Number: J256.583H
• Mol file: 61266-70-4.mol

Synonyms:Oxetan-2-ylmethanol;61266-70-4;2-Hydroxymethyloxetane;2-Oxetanemethanol;Oxetan-2-yl-methanol;(oxetan-2-yl)methanol;MFCD00142933;(S)-2-Oxetanemethanol;(R)-Oxetan-2-yl-methanol;(S)-Oxetan-2-yl-methanol;MFCD28967963;MFCD31728682;2-oxetanylmethanol;2,4-Epoxybutanol;Oxetane-2-methanol;Methyloloxacyclobutan;(R)-2-Oxetanylmethanol;2-(Hydroxymethyl)oxetane;rac-2-hydroxymethyloxetane;rac-2-hydroxymethyl-oxetane;DTXSID70484292;PQZJTHGEFIQMCO-UHFFFAOYSA-N;BCP26694;BCP30686;AKOS015856507;CS-W019194;GS-4551;PB20918;SB34769;SB35257;AM807004;SY042053;SY270417;SY312547;BB 0261645;FT-0686090;H0773;EN300-85069;A833134;J-510196;F0001-1613;(2S)-2-Oxetanylmethanol

Chemical Property of Oxetan-2-ylmethanol

Chemical Property:

• Vapor Pressure: 0.518mmHg at 25°C
• Refractive Index: 1.45
• Boiling Point: 168.784 °C at 760 mmHg
• PKA: 14.44±0.10(Predicted)
• Flash Point: 78.798 °C
• PSA: 29.46000
• Density: 1.093 g/cm³
• LogP: -0.23240
• Storage Temp.: 0-10°C
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform, Methanol (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 44.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Oxetanemethanol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC1CO
• Uses: 2-Oxetanemethanol acts as a reagent in the metabolism-directed design of oxetane-containing arylsulfonamide derivatives as y-secretase inhibitors. Also functions as a synthetic reagent in the preparation of glycidol, a bifunctional organic compound with numerous industrial and pharmaceutical applications.

Technology Process of Oxetan-2-ylmethanol

There total 4 articles about Oxetan-2-ylmethanol 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: 74.0%

2-(1-ethoxyethoxy)methyloxetane (115845-47-1) → oxetan-2-ylmethanol (61266-70-4)

Guidance literature:

With acetic acid;

DOI:10.1055/s-1987-28203

Reference yield:

3,4-epoxy-1-butanol (19098-31-8) → 3-Hydroxytetrahydrofuran (453-20-3,84921-89-1,864447-89-2) + oxetan-2-ylmethanol (61266-70-4)

Guidance literature:

With isophthalic acid; tributyltin methoxide; Yield given. Multistep reaction; 1.) 120 deg C, 25 Hgmm 2.)180-200 deg C;

DOI:10.1016/S0040-4039(00)77404-1

Reference yield:

(C4H9)3SnOCH2C3H5O + isophthalic acid (121-91-5) → oxetan-2-ylmethanol (61266-70-4)

Guidance literature:

DOI:10.1016/S0040-4039(00)77404-1

upstream raw materials:

3,4-epoxy-1-butanol

2-(1-ethoxyethoxy)methyloxetane

isophthalic acid

Downstream raw materials:

2-(iodomethyl)oxetane

(R)-2-{4-chloro-N-[(S)-oxetan-2-ylmethyl]phenylsulfonamido}-5,5,5-trifluoropentanamide

(R)-2-{4-chloro-N-[(R)-oxetan-2-ylmethyl]phenylsulfonamido}-5,5,5-trifluoropentanamide

oxetan-2-ylmethyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)carbamate

Refernces

• 1、 Griffiths, Gwerydd,Stirling, Charles J. M.. "CONCERTED VERSUS STEPWISE PROCESSES IN ELIMINATIVE FISSION OF OXACYCLES". . p. 89 - 92. Retrieved 2007/10/02.
• 2、 Bats, J. -P.,Moulines, J.,Picard, P.,Leclercq, D.. "TRANSPOSITION DES OXIRANNES-ETHANOLS PAR L'INTERMEDIAIRE D'ALCOXYETAINS". . p. 2139 - 2146. Retrieved 2007/10/02.