ChemicalBook--->CAS DataBase List--->19099-54-8

19099-54-8

19099-54-8 Structure

19099-54-8 Structure
IdentificationMore
[Name]

2-IODOISOPROPYLBENZENE
[CAS]

19099-54-8
[Synonyms]

1-IODO-2-ISOPROPYLBENZENE
2-IODOCUMENE
2-IODOISOPROPYLBENZENE
2-Iodocumene~2-Isopropyliodobenzene
Iodocumene
o-iodocumene
2-isopropyliodobenzene
1-IODO-2-ISOPROPYL BENZENE 95%
1-Iodo-2-(1-methylethyl)benzene
1-Isopropyl-2-iodobenzene
2-Iodo-1-isopropylbenzene
2-Isopropylphenyl iodide
[EINECS(EC#)]

242-819-8
[Molecular Formula]

C9H11I
[MDL Number]

MFCD00013704
[Molecular Weight]

246.09
[MOL File]

19099-54-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

89 °C
[density ]

1.54
[refractive index ]

1.5801
[Fp ]

110°C/20mm
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Clear Pale Red to Red
[Sensitive ]

Light Sensitive
[BRN ]

2351872
[CAS DataBase Reference]

19099-54-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant/Light Sensitive
[HS Code ]

29039990
Hazard InformationBack Directory
[Uses]

2-Iodocumene acts as a reagent in the synthesis of aryliminoguanidines as NPFF1 and NPFF2 agonists.
[Synthesis]

2-ISOPROPYLANILINE

643-28-7

2-IODOISOPROPYLBENZENE

19099-54-8

General procedure for the synthesis of 2-isopropyliodobenzene from 2-isopropylaniline: 2-isopropylaniline (27.04 g, 0.2 mol) was dissolved in 25% aqueous sulfuric acid solution (w/w, 160 mL), and diazotization reaction was carried out by slowly and dropwise addition of an aqueous solution of sodium nitrite (14 g) (26 mL) at -20 °C. The resulting diazonium salt solution was transferred to an aqueous solution (100 mL) of potassium iodide (100 g) and after 18 hours of reaction, sodium hydroxide (36 g) and water (125 mL) were added to neutralize the reaction system. The reaction mixture was extracted with hexane, the organic phases were combined and purified by silica gel column chromatography, and the target product, 2-isopropyliodobenzene, was obtained after concentration in a yield of 35.8 g, 73%. The product was identified by mass spectrometry: m/z 246 (M+). 1H NMR (CDCl3) δppm: 1.23 (d, 6H, J=6.84 Hz), 3.18 (septet, 1H, J=6.84 Hz), 6.86 (m, 1H), 7.28 (m, 2H), 7.82 (dd, 1H, J=1.24 and 7.92 Hz).

[References]

[1] Patent: US10113065, 2018, B1. Location in patent: Page/Page column 21
[2] Journal of the American Chemical Society, 1957, vol. 79, p. 1897,1900
[3] Bulletin of the Chemical Society of Japan, 1971, vol. 44, p. 266 - 270
[4] Journal of Organic Chemistry, 1997, vol. 62, # 16, p. 5651 - 5656
[5] Advanced Synthesis and Catalysis, 2008, vol. 350, # 14-15, p. 2179 - 2182
Spectrum DetailBack Directory
[Spectrum Detail]

2-IODOISOPROPYLBENZENE(19099-54-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Iodo-2-isopropylbenzene, 95%(19099-54-8)
[TCI AMERICA]

2-Iodocumene,>97.0%(GC)(19099-54-8)
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