CAS No.4102-53-8,4-Iodo-2,6-dimethylaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4102-53-8
Name:	4-Iodo-2,6-dimethylaniline
Article Data:	29

Formula:	C₈H₁₀IN
Molecular Weight:	247.079
Synonyms:	2,6-Xylidine,4-iodo- (6CI,7CI,8CI);2,6-Dimethyl-4-iodoaniline;NSC 128900;
EINECS:	609-884-8
Density:	1.688 g/cm³
Melting Point:	52-53oC
Boiling Point:	290.6 °C at 760 mmHg
Flash Point:	129.6 °C
Appearance:	crystals
PSA:	26.02000
LogP:	3.07140

Synthetic route

: 87-62-7
2,6-dimethylaniline

: 4102-53-8
4-iodo-2,6-dimethylaniline

Conditions

Conditions	Yield
With Iodine monochloride In methanol; dichloromethane at 20℃;	99%
With In(OSO2CF3)3; Iodine monochloride In dichloromethane; acetonitrile at 20℃; for 1h;	98%
With C10H14N4Cu(1+)I(1-)*ClI In acetonitrile at 20℃; for 10h; Reagent/catalyst;	98%

: 21436-98-6
2,6-dimethylaniline hydrochloride

: 4102-53-8
4-iodo-2,6-dimethylaniline

Conditions

Conditions	Yield
With iodine; calcium carbonate In water at 60℃; for 0.833333h;	92%

: 87-62-7
2,6-dimethylaniline

A: 4102-53-8
4-iodo-2,6-dimethylaniline

B: 24596-20-1
4-(2,6-dimethylphenylimino)-2,6-dimethylcyclohexa-2,5-dienone

Conditions

Conditions	Yield
With hydrogenchloride; sodium iodine dichloride In methanol; water at 20℃; for 3h; pH=1 - 2;	A 21% B 28%

: 144991-54-8
1,3-dimethyl-5-iodo-4-nitrobenzene

: 4102-53-8
4-iodo-2,6-dimethylaniline

Conditions

Conditions	Yield
With ethanol; ammonium chloride; zinc

: 87-62-7
2,6-dimethylaniline

A: 24596-18-7
4-chloro-2,6-dimethylaniline

B: 4102-53-8
4-iodo-2,6-dimethylaniline

Conditions

Conditions	Yield
With 1-butyl-3-methyl-pyridinium dichloroiodate at 80℃; for 2h; Time; Reagent/catalyst;	A 95 %Chromat. B 98 %Chromat.

: 4102-53-8
4-iodo-2,6-dimethylaniline

: 123-72-8
butyraldehyde

: (4-iodo-2,6-dimethyl-phenyl)-dipropyl-amine

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane	100%

: 4102-53-8
4-iodo-2,6-dimethylaniline

: 1066-54-2
trimethylsilylacetylene

: 926895-24-1
2,6-dimethyl-4-[(trimethylsilyl)ethynyl]aniline

Conditions

Conditions	Yield
With piperidine; copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) In various solvent(s) at 20℃; for 16h; Sonogashira cross-coupling reaction;	100%

: 4102-53-8
4-iodo-2,6-dimethylaniline

: 98-59-9
p-toluenesulfonyl chloride

: N-(4-iodo-2,6-dimethylphenyl) p-toluenesulfonamide

Conditions

Conditions	Yield
With pyridine at 0℃; for 2h;	95%

: 4102-53-8
4-iodo-2,6-dimethylaniline

: 762-04-9
phosphonic acid diethyl ester

: 1421533-53-0
diethyl (4-amino-3,5-dimethylphenyl)phosphonate

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); triethylamine In toluene for 12h; Reflux; Inert atmosphere;	90%

: 4102-53-8
4-iodo-2,6-dimethylaniline

: 106-45-6
para-thiocresol

: 2,6-dimethyl-4-(p-tolylthio)aniline

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate; ethylene glycol In isopropyl alcohol at 80℃; for 96h;	88%

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Specification

The Benzenamine,4-iodo-2,6-dimethyl-, with CAS registry number 4102-53-8, belongs to the following product category: Amines. It has the systematic name of 4-iodo-2,6-dimethylaniline. Besides this, it is also called 4-Iod-2,6-dimethylanilin. And the chemical formula of this chemical is C₈H₁₀IN.

Physical properties of Benzenamine,4-iodo-2,6-dimethyl-: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å²; (7)Index of Refraction: 1.644; (8)Molar Refractivity: 53.04 cm³; (9)Molar Volume: 146.3 cm³; (10)Polarizability: 21.02×10^-24cm³; (11)Surface Tension: 47.4 dyne/cm; (12)Density: 1.688 g/cm³; (13)Flash Point: 129.6 °C; (14)Enthalpy of Vaporization: 53 kJ/mol; (15)Boiling Point: 290.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00204 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(c(N)c(c1)C)C
(2)InChI: InChI=1/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
(3)InChIKey: BJJSUOOEBCCLNY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
(5)Std. InChIKey: BJJSUOOEBCCLNY-UHFFFAOYSA-N