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CAS No.: | 34314-83-5 |
---|---|
Name: | 3-methyl-4,5-dihydrofuran |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C5H8O |
Molecular Weight: | 84.12 |
Synonyms: | 2,3-Dihydro-4-methylfuran;4,5-Dihydro-3-methylfuran; |
Density: | 0.924 g/cm3 |
Boiling Point: | 98.365 °C at 760 mmHg |
Flash Point: | 2.063 °C |
PSA: | 9.23000 |
LogP: | 1.31050 |
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The Furan,2,3-dihydro-4-methyl-, with the CAS registry number 34314-83-5, is also known as 2,3-Dihydro-4-methylfuran. This chemical's molecular formula is C5H8O and molecular weight is 84.12. What's more, both its IUPAC name and systematic name are the same which is called 4-Methyl-2,3-dihydrofuran.
Physical properties about Furan,2,3-dihydro-4-methyl- are: (1)ACD/LogP: 0.381; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 38.38; (8)ACD/KOC (pH 7.4): 38.38; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 24.36 cm3; (15)Molar Volume: 91.037 cm3; (16)Polarizability: 9.657×10-24cm3; (17)Surface Tension: 25.624 dyne/cm; (18)Density: 0.924 g/cm3; (19)Flash Point: 2.063 °C; (20)Enthalpy of Vaporization: 32.379 kJ/mol; (21)Boiling Point: 98.365 °C at 760 mmHg; (22)Vapour Pressure: 46.014 mmHg at 25 °C.
Preparation of Furan,2,3-dihydro-4-methyl-: this chemical can be prepared by 4,4-dibromo-3-methylbut-3-en-1-ol. This reaction needs reagent MeLi and solvent diethyl ether at temperature of 20 °C. The yield is 58 %.
Uses of Furan,2,3-dihydro-4-methyl-: it is used to produce other chemicals. For example, it can react with diazoacetic acid ethyl ester to get (1R,5S,6S)-5-methyl-6-carbethoxy-2-oxabicyclo[3.1.0]hexane and 5-methyl-2-oxa-bicyclo[3.1.0]hexane-6-carboxylic acid ethyl ester. The reaction occurs with reagent 2,2'-isopropylidenebis[(4S)-4-tert-butyl-2-oxazoline], solvent CH2Cl2 and catalyst (CuOTf)2*C6H6 at temperature of 0-20 °C. The yield is 60 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O1\C=C(\C)CC1
(2) InChI: InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3
(3) InChIKey: FWGYRFWKBWPRJD-UHFFFAOYSA-N