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CAS No.: | 637-97-8 |
---|---|
Name: | SEC-AMYL IODIDE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C5H11I |
Molecular Weight: | 198.047 |
Synonyms: | (?à)-2-Iodopentane;2-Iodopentane;NSC 7902; |
EINECS: | 211-311-8 |
Density: | 1.52 g/cm3 |
Melting Point: | -85.6°C (estimate) |
Boiling Point: | 146.6 °C at 760 mmHg |
Flash Point: | 44.6 °C |
PSA: | 0.00000 |
LogP: | 2.61000 |
Conditions | Yield |
---|---|
With iodide; <p>-(CH2)3-<sup>+</sup>NBu3</p> In water at 110℃; for 5.5h; | 38% |
With I*2H2O In toluene at 90℃; Rate constant; |
Conditions | Yield |
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With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 0℃; for 2h; | 32% |
(i) P2I4, CS2, (ii) K2CO3; Multistep reaction; | |
With iodine; triphenylphosphine In N,N-dimethyl-formamide | |
Multi-step reaction with 2 steps 1: pyridine 2: NaI View Scheme | |
Multi-step reaction with 2 steps 1: PCl3 2: HI View Scheme |
Conditions | Yield |
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With phosphorus; iodine |
Conditions | Yield |
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With hydrogen iodide | |
With water; hydrogen iodide |
Conditions | Yield |
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With acetone; sodium iodide |
Conditions | Yield |
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With hydrogen iodide at 100℃; |
Conditions | Yield |
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With hydrogen iodide |
phosphorous acid tris-(1-methyl-butyl) ester
2-iodopentane
Conditions | Yield |
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With hydrogen iodide |
diphenyl sec-pentyloxyphosphine
2-iodopentane
Conditions | Yield |
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With hydrogen iodide |
Conditions | Yield |
---|---|
With sodium hydroxide; iodoform at 25℃; for 24h; Iodination; Title compound not separated from byproducts; | |
With CCl4*2AlI3 In dichloromethane at -20℃; for 1.5h; | |
With sodium azide; dihydrogen peroxide; iodine; acetic anhydride In water at 0 - 40℃; for 13h; Title compound not separated from byproducts; | |
With sodium periodate; sodium azide; potassium iodide In acetic acid at 25℃; for 9h; |
The Pentane, 2-iodo-, with the CAS registry number 637-97-8, is also known as NSC7902. Its EINECS registry number is 211-311-8. This chemical's molecular formula is C5H11I and molecular weight is 198.04531. Its IUPAC name is called 2-iodopentane.
Physical properties of Pentane, 2-iodo-: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 3.44; (3)ACD/LogD (pH 7.4): 3.44; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.497; (6)Molar Refractivity: 38.14 cm3; (7)Molar Volume: 130.2 cm3; (8)Surface Tension: 29 dyne/cm; (9)Density: 1.52 g/cm3; (10)Flash Point: 44.6 °C; (11)Enthalpy of Vaporization: 36.78 kJ/mol; (12)Boiling Point: 146.6 °C at 760 mmHg; (13)Vapour Pressure: 5.82 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-bromo-pentane. This reaction will need reagent I•2H2O and solvent toluene.
Uses of Pentane, 2-iodo-: it can be used to produce 4-methyl-octane at temperature of -50 °C. This reaction will need reagent n-Bu2Cu(CN)Li2 and solvent tetrahydrofuran with reaction time of 2 hours. The yield is about 99%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(C)I
(2)InChI: InChI=1S/C5H11I/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
(3)InChIKey: JUPBFIYJUCWJCT-UHFFFAOYSA-N