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637-97-8

Basic Information
CAS No.: 637-97-8
Name: SEC-AMYL IODIDE
Article Data: 27
Molecular Structure:
Molecular Structure of 637-97-8 (SEC-AMYL IODIDE)
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
Synthetic route
107-81-3

2-bromopentane

637-97-8

2-iodopentane

Conditions
ConditionsYield
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;
6032-29-7

(+/-)-2-pentanol

637-97-8

2-iodopentane

Conditions
ConditionsYield
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
26184-62-3

(S)-2-pentanol

A

637-97-8

2-iodopentane

B

1809-05-8

3-pentyl iodide

Conditions
ConditionsYield
With phosphorus; iodine
109-67-1

1-penten

637-97-8

2-iodopentane

Conditions
ConditionsYield
With hydrogen iodide
With water; hydrogen iodide
3813-69-2

2-pentyl tosylate

637-97-8

2-iodopentane

Conditions
ConditionsYield
With acetone; sodium iodide
123-54-6

acetylacetone

637-97-8

2-iodopentane

Conditions
ConditionsYield
With hydrogen iodide at 100℃;
1809-16-1

phosphonic acid bis-(1-methyl-butyl) ester

637-97-8

2-iodopentane

Conditions
ConditionsYield
With hydrogen iodide
20329-32-2, 30356-02-6

phosphorous acid tris-(1-methyl-butyl) ester

637-97-8

2-iodopentane

Conditions
ConditionsYield
With hydrogen iodide
38011-61-9

diphenyl sec-pentyloxyphosphine

637-97-8

2-iodopentane

Conditions
ConditionsYield
With hydrogen iodide
109-66-0

pentane

A

637-97-8

2-iodopentane

B

1809-05-8

3-pentyl iodide

Conditions
ConditionsYield
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;
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Specification

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