Methane-d3, iodo-(6CI,8CI,9CI) supplier

Name
IODOMETHANE-D3
EINECS 212-744-5
CAS No. 865-50-9
Article Data26
CAS DataBase
Density 2.269 g/cm³
Solubility
Melting Point -66.5 °C(lit.)
Formula CD₃I
Boiling Point 40.3 °C at 760 mmHg
Molecular Weight 144.916
Flash Point 7.8 °C
Transport Information UN 2644 6.1/PG 1
Appearance colourless liquid
Safety 26-36/37/39-38-45
Risk Codes 21-23/25-34-40-42/43
Molecular Structure
Hazard Symbols T
Synonyms Iodomethane-d3;Iodotrideuteriomethane;Methyl-d3 iodide;Perdeuteriomethyl iodide;Perdeuteroiodomethane;Trideuterioiodomethane;Trideuteriomethyl iodide;Trideutero(iodo)methane;
PSA 0.00000
LogP 1.05120

Synthetic route

: 811-98-3
d(4)-methanol

: 865-50-9
iodomethane-d3

Conditions

Conditions	Yield
With phosphorus; iodine In water Heating;	85%
With hydrogen iodide In water at 40 - 50℃; for 4h;	83.8%
With phosphorus; iodine Heating;	69.8%

: 1849-29-2
1,1,1-trideuteromethanol

: 865-50-9
iodomethane-d3

Conditions

Conditions	Yield
With hydrogen iodide In water at 20 - 55℃;	83.8%
With phosphorus; iodine

: 1111-88-2
Trideutero-methylbromid

: 865-50-9
iodomethane-d3

Conditions

Conditions	Yield
With calcium iodide

: 13669-70-0, 69319-32-0, 91463-82-0, 110011-82-0
nefopam

A: 865-50-9
iodomethane-d3

: 129356-74-7, 129356-75-8
Nefopam trideuteriomethioiodide

Conditions

Conditions	Yield
Title compound not separated from byproducts;

: 2122-44-3
deuterated methyl radical

: 865-50-9
iodomethane-d3

Conditions

Conditions	Yield
With I at 550 - 700℃; Equilibrium constant;

trideuteromethanol: trideuteromethanol

: 865-50-9
iodomethane-d3

Conditions

Conditions	Yield
With hydrogen iodide

tris-trideuteriomethyl-sulfoxonium iodide: tris-trideuteriomethyl-sulfoxonium iodide

: 865-50-9
iodomethane-d3

Conditions

Conditions	Yield
at 200℃; under 20 Torr;

: 7575-93-1
methyl-d3 4-methylbenzenesulfonate

: 865-50-9
iodomethane-d3

Conditions

Conditions	Yield
With potassium iodide In N,N-dimethyl-formamide for 5h; Reagent/catalyst;

: 865-50-9
iodomethane-d3

: 603-35-0
triphenylphosphine

: 1560-56-1
(methyl-d3)triphenylphosphonium iodide

Conditions

Conditions	Yield
In tetrahydrofuran for 1h; Reflux;	100%
In tetrahydrofuran for 1h; Schlenk technique; Reflux;	99%
In tetrahydrofuran for 1h; Schlenk technique; Inert atmosphere; Reflux;	99%

: 865-50-9
iodomethane-d3

: 6272-38-4
O-benzylcatechol

: 1-benzyloxy-2-<2H3>methoxybenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 2h;	100%
With caesium carbonate In N,N-dimethyl-formamide for 2h; Ambient temperature;	94%

: 865-50-9
iodomethane-d3

: 21204-67-1
methyl (triphenylphosphoranylidene)acetate

: 69533-49-9
trideuteriomethyl(α-carbomethoxymethyl)triphenylphosphonium iodide

Conditions

Conditions	Yield
In chloroform at 40℃; for 12h;	100%

: 865-50-9
iodomethane-d3

: 135-19-3
β-naphthol

: 97073-37-5
2-(methoxy-d3)naphthalene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 8h; Inert atmosphere;	100%
With potassium carbonate In tetrahydrofuran at 20℃; for 8h;	94%
With sodium hydride In N,N-dimethyl-formamide for 3h; Ambient temperature;	70%

: 865-50-9
iodomethane-d3

: C11H21BNO(1-)*H(1+)

: C12H20(2)H3BNO(1-)*H(1+)

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran	100%

: 865-50-9
iodomethane-d3

: C15H21BNO(1-)*H(1+)

: C16H20(2)H3BNO(1-)*H(1+)

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran	100%

: 865-50-9
iodomethane-d3

: C15H21BNO(1-)*H(1+)

: C16H20(2)H3BNO(1-)*H(1+)

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran	100%

: 865-50-9
iodomethane-d3

: C5(CH3)5Ru(C5H4CH2C4H7NCH2OCH3)

: (Rp)-Cp*Ru[1-CD3-2-(CH2NC4H7CH2OCH3)C5H3]

Conditions

Conditions	Yield
With LisBu In diethyl ether; cyclohexane (inert atm.); Ru complex in Et2O cooled to -78°C, treated with LisBu in cyclohexane (1:1.70) at -78°C within 20-30 s, stirred at -78°C for 3.5 h, treated with suspn. of ligand in Et2O, warmed to room temp. kept for 50 h; evapd.(vac.), treated with Et2O, then with H2O and vigorously shaked, aq. phase extd.(ether), dried (Na2SO4), freed of volatiles;	100%

: 865-50-9
iodomethane-d3

: 104057-65-0
(2R,4S)-3-benzoyl-2-(tert-butyl)-4-methyl-1,3-oxazolidin-5-one

: 1202165-48-7
(2R,4S)-N-benzoyl-2-tert-butyl-4-(methyl-d3)-4-methyloxazolidin-5-one

Conditions

Conditions	Yield
Stage #1: (2R,4S)-3-benzoyl-2-(tert-butyl)-4-methyl-1,3-oxazolidin-5-one With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; Inert atmosphere; Stage #2: iodomethane-d3 In tetrahydrofuran; hexane at -78 - 20℃; Inert atmosphere;	100%

: 865-50-9
iodomethane-d3

: 162536-85-8
(2S,3S)-N-tert-butoxycarbonyl-3-amino-1,2-epoxy-4-(4-hydroxyphenyl)butane

: 1254047-26-1
erythro-N-boc-O-(methyl-d3)-L-tyrosine epoxide

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide for 15h;	100%

: 865-50-9
iodomethane-d3

: 269409-97-4
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

: 1454558-24-7
2-(2-(methoxy-d3)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With sodium hydride In dimethyl sulfoxide at 20℃;	100%

: 865-50-9
iodomethane-d3

: 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one

: 8-bromo-2-cyclopentyl-4-methyl(D3)-4H-pyrazolo[1,5-a]quinazolin-5-one

Conditions

Conditions	Yield
Stage #1: 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one With sodium hydride In N,N-dimethyl-formamide; mineral oil for 0.25h; Cooling with ice; Stage #2: iodomethane-d3 In N,N-dimethyl-formamide; mineral oil at 20℃; for 2h; Cooling with ice;	100%

: 93-35-6
7-hydroxy-2H-chromen-2-one

: 865-50-9
iodomethane-d3

: [methyl-2H3]7-methoxycoumarin

Conditions

Conditions	Yield
With potassium carbonate In acetone	100%

: 865-50-9
iodomethane-d3

: [D17]-1-octylimidazole

: [D17]-1-octyl-[D3]-3-methylimidazolium iodide

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 12h;	100%

: 2-{[1-(4-chlorophenyl)methylidene]amino}propionic acid tert-butyl ester

: 865-50-9
iodomethane-d3

: C8H14(2)H3NO2

Conditions

Conditions	Yield
With ((11bS)-(+)-4,4-dibutyl-4,5-dihydro-2,6-bis(3,4,5-triflourophenyl)-3H-dinaphth[2,1-c:1’,2’-e]azepinium bromide); cesiumhydroxide monohydrate In toluene at -40℃; for 24h;	100%

: 2-{[1-(4-chlorophenyl)methylidene]amino}propionic acid tert-butyl ester

: 865-50-9
iodomethane-d3

: tert-butyl (S)-2-amino-2-(trideuteriomethyl)propionate

Conditions

Conditions	Yield
With (11bR)-(+)-4,4-dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c:1′,2′-e]azepinium bromide; cesiumhydroxide monohydrate In toluene at -40℃; for 24h;	100%

: 865-50-9
iodomethane-d3

: 393810-25-8
(2S,4R)-4-fluoro-5-oxo-pyrrolidine-2-carboxylic acid methyl ester

: methyl (2S,4R)-4-fluoro-1-(methyl-d3)-5-oxopyrrolidine-2-carboxylate

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 45℃; for 18h; Sealed tube;	100%
With caesium carbonate In acetonitrile at 45℃; for 18h; Sealed tube;	100%
With caesium carbonate In acetonitrile at 45℃; for 18h; Inert atmosphere; Sealed tube;	100%
With caesium carbonate In acetonitrile at 50℃; for 18h; Sealed tube;

: 865-50-9
iodomethane-d3

: indole-d7

: 1-(methyl-d3)-1H-(indole-d6)

Conditions

Conditions	Yield
Stage #1: indole-d7 With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5h; Inert atmosphere; Stage #2: iodomethane-d3 In tetrahydrofuran; mineral oil at 20℃; for 3h;	100%

: 6825-20-3
3,6-dibromo-9H-carbazole

: 865-50-9
iodomethane-d3

: C13H6(2)H3Br2N

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 20℃; for 3h;	100%

: 865-50-9
iodomethane-d3

: methyl 4-chloro-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzoate

: methyl 4-chloro-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-(trideuteriomethyl)benzoate

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; for 2h;	100%

: 865-50-9
iodomethane-d3

: 1246213-26-2
2-(benzyloxy)-5-tert-butylbenzyl nitrile

: 2-(2-(benzyloxy)-5-(tert-butyl)phenyl)-2-(methyl-d3)propanenitrile-3,3,3-d3

Conditions

Conditions	Yield
Stage #1: 2-(benzyloxy)-5-tert-butylbenzyl nitrile With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 1h; Stage #2: iodomethane-d3 In tetrahydrofuran; mineral oil at 20℃;	100%

: 865-50-9
iodomethane-d3

: methyl 2-[(4-nitrophenyl)sulfonylamino]acetate

: methyl 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide for 0.75h; Inert atmosphere;	100%

: 865-50-9
iodomethane-d3

: 10369-82-1
2-(diethylamino)ethyl acetate

: N,N-diethyl-N-methyl-d3-aminoethyl acetateiodide

Conditions

Conditions	Yield
In chloroform at 50℃; for 4h; Schlenk technique;	100%

: 865-50-9
iodomethane-d3

: 1142-20-7
N-Cbz-Ala

: N-((benzyloxy)carbonyl)-N-(methyl-d3)-L-alanine

Conditions

Conditions	Yield
Stage #1: N-Cbz-Ala With sodium hydride In tetrahydrofuran at 0℃; for 0.25h; Stage #2: iodomethane-d3 In tetrahydrofuran at 0 - 20℃;	100%

: 865-50-9
iodomethane-d3

: (2S,4S)-methyl 4-fluoro-5-oxopyrrolidine-2-carboxylate

: methyl (2S,4S)-4-fluoro-1-(methyl-d3)-5-oxopyrrolidine-2-carboxylate

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 45℃; for 18h; Sealed tube;	100%

: 865-50-9
iodomethane-d3

: (4R,5R)-4-(((tert-butyldimethylsilyl)oxy)methyl)-5-(3-chlorophenyl)oxazolidin-2-one

: (4R,5R)-4-(((tert-butyldimethylsilyl)oxy)methyl)-5-(3-chlorophenyl)-3-(methyl-d3)oxazolidin-2-one

Conditions

Conditions	Yield
Stage #1: (4R,5R)-4-(((tert-butyldimethylsilyl)oxy)methyl)-5-(3-chlorophenyl)oxazolidin-2-one With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h; Stage #2: iodomethane-d3 In N,N-dimethyl-formamide for 2h;	100%

: 2-[(2)H3]methyl-2-(phenylsulfinyl)-[3,3,3-(2)H3]propionoic acid

: 865-50-9
iodomethane-d3

: 2-[(2)H3]methyl-2-(phenylsulfinyl)-[3,3,3-(2)H3]propionoic acid [(2)H3]methyl ester

Conditions

Conditions	Yield
Stage #1: 2-[(2)H3]methyl-2-(phenylsulfinyl)-[3,3,3-(2)H3]propionoic acid With potassium carbonate In N,N-dimethyl-formamide for 0.25h; Stage #2: iodomethane-d3 In N,N-dimethyl-formamide for 1h;	99.8%

: 865-50-9
iodomethane-d3

: 78366-01-5
Bis<2-(1-methylethenyl)phenyl>phenylphosphan

: 78366-03-7
Bis<2-(1-methylethenyl)phenyl>phenyl(trideuteriomethyl)phosphoniumiodid

Conditions

Conditions	Yield
Ambient temperature;	99%

: 865-50-9
iodomethane-d3

: 145324-63-6
2-benzyl-5-methylpyrazole 1-oxide

: 2-benzyl-1-trideuteriomethoxy-5-methylpyrazolium tetrafluoroborate

Conditions

Conditions	Yield
With silver tetrafluoroborate In nitromethane a) -50 deg C, 15 min, b) 20 deg C, 2 h;	99%

: 865-50-9
iodomethane-d3

: 65-46-3
CYTIDINE

: C10H13(2)H3N3O5(1+)*I(1-)

Conditions

Conditions	Yield
In N,N-dimethyl acetamide for 2.4h; Ambient temperature;	99%

Methane-d3, iodo-(6CI,8CI,9CI) Specification

The CAS registry number of Methane-d3, iodo-(6Cl,8Cl,9Cl) is 865-50-9. Its EINECS registry number is 212-744-5. The IUPAC name is trideuterio(iodo)methane. In addition, the molecular formula is CD₃I and the molecular weight is 144.96. It is also called perdeuteriomethyl iodide. What's more, it is a kind of colourless liquid and incompatible with strong bases and strong oxidizing agents. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.08; (5)ACD/BCF (pH 7.4): 8.08; (6)ACD/KOC (pH 5.5): 155.34; (7)ACD/KOC (pH 7.4): 155.34; (8)Index of Refraction: 1.527; (9)Molar Refractivity: 19.65 cm³; (10)Molar Volume: 63.8 cm³; (11)Polarizability: 7.79 ×10^-24cm³; (12)Surface Tension: 27.2 dyne/cm; (13)Density: 2.269 g/cm³; (14)Flash Point: 7.8 °C; (15)Enthalpy of Vaporization: 27.3 kJ/mol; (16)Boiling Point: 40.3 °C at 760 mmHg; (17)Vapour Pressure: 437 mmHg at 25°C.

Preparation of Methane-d3, iodo-(6Cl,8Cl,9Cl): it can be prepared by tetradeuterio-methanol. This reaction will need reagents red phosphorous and I₂. The yield is about 69.8% by heating.

Uses of Methane-d3, iodo-(6Cl,8Cl,9Cl): it can react with naphthalen-1-ol to get 1-trideuteriomethoxy-naphthalene. This reaction will need reagent potassium carbonate. The reaction time is 20 hours at reaction temperature of 60°C. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation and if swallowed. And it is harmful in contact with skin and may cause sensitization by inhalation and skin contact. Moreover, it can cause burns. There is limited evidence of a carcinogenic effect. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, in case of insufficient ventilation, wear suitable respiratory equipment. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])I
(2)InChI: InChI=1/CH3I/c1-2/h1H3/i1D3
(3)InChIKey: INQOMBQAUSQDDS-FIBGUPNXEI

Product Name

IODOMETHANE-D3

Synthetic route

Methane-d3, iodo-(6CI,8CI,9CI) Specification

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