ChemicalBook > CAS DataBase List > 3-Methyl-3-oxetanemethanol
3-Methyl-3-oxetanemethanol
- Product Name
- 3-Methyl-3-oxetanemethanol
- CAS No.
- 3143-02-0
- Chemical Name
- 3-Methyl-3-oxetanemethanol
- Synonyms
- -3-oxetanemethanoL;TIMTEC-BB SBB009078;RARECHEM AK ML 0581;Methyl-3-oxetaneMetha;Cinchone intermediate;3-METHYL-3-OXETANEMETHANOL;3-Methyloxetane-3-methanol;3-methvl-3-oxetanemethanol;3-METHYL-3-OXETHANEMETHANOL;3-Oxetanemethanol, 3-methyl-
- CBNumber
- CB1418754
- Molecular Formula
- C5H10O2
- Formula Weight
- 102.13
- MOL File
- 3143-02-0.mol
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3-Methyl-3-oxetanemethanol Property
- Boiling point:
- 80 °C/40 mmHg (lit.)
- Density
- 1.024 g/mL at 25 °C (lit.)
- refractive index
- n20/D 1.446(lit.)
- Flash point:
- 210 °F
- storage temp.
- 2-8°C
- solubility
- Soluble in chloroform, methanol.
- form
- Liquid
- pka
- 14.58±0.10(Predicted)
- Specific Gravity
- 1.024
- color
- Clear colorless to pale yellow
- BRN
- 102773
- InChI
- InChI=1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
- InChIKey
- NLQMSBJFLQPLIJ-UHFFFAOYSA-N
- SMILES
- O1CC(C)(CO)C1
- CAS DataBase Reference
- 3143-02-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 3-Methyl-3-oxetanemethanol(3143-02-0)
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Safety
- Hazard Codes
- Xi
- Risk Statements
- 43
- Safety Statements
- 23-24/25-36/37
- WGK Germany
- 3
- HS Code
- 29329990
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N-Bromosuccinimide Price
Sigma-Aldrich
- Product number
- 277681
- Product name
- 3-Methyl-3-oxetanemethanol
- Purity
- 98%
- Packaging
- 10g
- Price
- $20.84
- Updated
- 2024/03/01
Sigma-Aldrich
- Product number
- 277681
- Product name
- 3-Methyl-3-oxetanemethanol
- Purity
- 98%
- Packaging
- 50g
- Price
- $164
- Updated
- 2024/03/01
TCI Chemical
- Product number
- M1136
- Product name
- 3-Methyl-3-oxetanemethanol
- Purity
- >96.0%(GC)
- Packaging
- 5g
- Price
- $23
- Updated
- 2024/03/01
TCI Chemical
- Product number
- M1136
- Product name
- 3-Methyl-3-oxetanemethanol
- Purity
- >96.0%(GC)
- Packaging
- 25g
- Price
- $63
- Updated
- 2024/03/01
Alfa Aesar
- Product number
- B25111
- Product name
- 3-Methyl-3-oxetanemethanol, 97%
- Packaging
- 25g
- Price
- $77.5
- Updated
- 2024/03/01
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3-Methyl-3-oxetanemethanol Chemical Properties,Usage,Production
Chemical Properties
Clear colorless to pale yellow liquid
Uses
3-Methyl-3-oxetanemethanol has been used in the preparation of star-shaped copolymer consisting of a hyperbranched poly(3-methyl-3-oxetanemethanol) core and polytetrahydrofuran arms, pyridyl disulfide-functionalized cyclic carbonate monomer, required for the synthesis of of functional poly(ε-caprolactone) containing pendant pyridyl disulphide groups and δ-lactams. It is used to synthesize octahydroindole alkaloids and γ-butenolides.
Definition
ChEBI: (3-Methyl-3-oxetanyl)methanol is a 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol.
Synthesis Reference(s)
Tetrahedron Letters, 24, p. 5571, 1983 DOI: 10.1016/S0040-4039(00)94143-1
Purification Methods
Purify the oxetane by fractionation through a glass column [Pattison J Am Chem Soc 79 3455 1957, Corey et al. J Am Chem Soc 106 2736 1984]. [Beilstein 17 III/IV 1128.]
Structure and conformation
Sun et al. found that the microsolvation effects influence the conformation of the 3-methyl-3-oxetanemethanol geometry. The hydrogen-bond arrangements in the hydrate complexes, governed by the water-water and water-solute interactions, exhibit characteristic configurations with an increasing number of water molecules and resemble the main isomers of the corresponding pure water clusters. In the jet expansion, two conformations are adopted by the 3-Methyl-3-oxetanemethanol (MOM) monomer, namely gauche- and cis-O4C1C6O7. As the cis conformer provides a better interaction space, most observed MOM-water clusters are formed with the cis conformation, even though the gauche conformer is energetically favored. Starting with the MOM monohydrate and dihydrate, 1D H-bonded chains are formed between the two oxygen atoms of MOM. The interplay between the MOM conformation and the water chain is observed. For the MOM trihydrate and tetrahydrate, 2D H-bonded rings are more favored than the 1D chain, restricted by the space between the two MOM oxygen atoms[1].
References
[1] Dr. Wenhao Sun, Prof. Dr. Melanie Schnell. “Microhydrated 3-Methyl-3-oxetanemethanol: Evolution of the Hydrogen-Bonding Network from Chains to Cubes.” Angewandte Chemie 134 49 (2022).
3-Methyl-3-oxetanemethanol Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Methyl-3-oxetanemethanol manufacturers
Anhui Dexinjia Biopharm Co., Ltd
- Product
- 3-Hydroxymethyl-3-methyloxetane 3143-02-0
- Price
- US $150.00-3500.00/KG
- Min. Order
- 1KG
- Purity
- 97%
- Supply Ability
- 5MT per month
- Release date
- 2020-03-25
Wuhan Xinhao Biotechnology Co., Ltd
- Product
- 3-Methyl-3-oxetanemethanol 3143-02-0
- Price
- US $10.00-100.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100 tons
- Release date
- 2024-03-11
PNP Biotech Co. Ltd
- Product
- 3-hydroxymethyl-3-methyloxetane 3143-02-0
- Price
- US $0.00/kg
- Min. Order
- 25kg
- Purity
- 98%
- Supply Ability
- Inquiry
- Release date
- 2022-10-21
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