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811-98-3

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811-98-3 Usage

Synthesis

Different sources of media describe the Synthesis of 811-98-3 differently. You can refer to the following data:
1. A preparation method for providing per-deuterated methanol is provided, specifically: opening the valve of deuterium gas and carbon monoxide, and controlling the volume ratio to be 1:1 to carry out premixing (deuterium gas and carbon monoxide are respectively 2kg and 14kg, a total of 16kg). Under the pressure of 5.5MPa, at a speed of 2L/s, through the catalyst bed layer of gold oxide: platinum oxide: rhodium oxide = 1:3:2 (mass ratio) at 210~380℃, after continuous circulation reaction for 24 hours, in The per-deuterated methanol reaction solution was obtained from the separation kettle, and the obtained reaction solution was rectified to give Methanol-d4: 3.2 kg, yield 35.5%, purity 99.8%.
2. 2131312313

Chemical Properties

colourless liquid

Uses

Methanol-d4 may be used as a solvent to analyze the rate of exchange of methoxyl group in camphor and norcamphor dimethyl ketals.

Application

Methyl Alcohol-d4 is the labeled analog of methyl alcohol, a common laboratory solvent used primarily in spectroscopic techniques (UV/VIS, NMR, IR).

General Description

Methanol-d4 (CD3OD) is a deuterated NMR solvent used for NMR-based research and analyses. It has the highest isotopic enrichment and will not interfere with the desired level of detection.The absolute infrared absorption intensities of CD3OD have been reported between 8000 and 350cm-1.

Check Digit Verification of cas no

The CAS Registry Mumber 811-98-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,1 and 1 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 811-98:
(5*8)+(4*1)+(3*1)+(2*9)+(1*8)=73
73 % 10 = 3
So 811-98-3 is a valid CAS Registry Number.
InChI:InChI=1/CH4O/c1-2/h2H,1H3/i1D3,2D

811-98-3 Well-known Company Product Price

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  • Alfa Aesar

  • (42320)  Methanol-d4, 100%(Isotopic)   

  • 811-98-3

  • 2each

  • 609.0CNY

  • Detail
  • Alfa Aesar

  • (42320)  Methanol-d4, 100%(Isotopic)   

  • 811-98-3

  • 10each

  • 2553.0CNY

  • Detail
  • Alfa Aesar

  • (42318)  Methanol-d4, 99.8% (Isotopic)   

  • 811-98-3

  • 2each

  • 290.0CNY

  • Detail
  • Alfa Aesar

  • (42318)  Methanol-d4, 99.8% (Isotopic)   

  • 811-98-3

  • 10each

  • 1100.0CNY

  • Detail
  • Alfa Aesar

  • (36501)  Methanol-d4, 99.8%(Isotopic)   

  • 811-98-3

  • 1g

  • 173.0CNY

  • Detail
  • Alfa Aesar

  • (36501)  Methanol-d4, 99.8%(Isotopic)   

  • 811-98-3

  • 5g

  • 622.0CNY

  • Detail
  • Alfa Aesar

  • (36501)  Methanol-d4, 99.8%(Isotopic)   

  • 811-98-3

  • 25g

  • 2764.0CNY

  • Detail
  • Alfa Aesar

  • (42319)  Methanol-d4, 99.8% (Isotopic), contains 0.05% v/v TMS   

  • 811-98-3

  • 2each

  • 320.0CNY

  • Detail
  • Alfa Aesar

  • (42319)  Methanol-d4, 99.8% (Isotopic), contains 0.05% v/v TMS   

  • 811-98-3

  • 10each

  • 1213.0CNY

  • Detail

811-98-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name trideuterio(deuteriooxy)methane

1.2 Other means of identification

Product number -
Other names Methanol-12C,d4

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:811-98-3 SDS

811-98-3Synthetic route

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

1,1,1-trideuteromethanol

d(4)-methanol
811-98-3

d(4)-methanol

Conditions
ConditionsYield
With deuterium hydride at 25℃; Equilibrium constant;
With water-d2 at 200℃;
Trideutero-methylbromid
1111-88-2

Trideutero-methylbromid

d(4)-methanol
811-98-3

d(4)-methanol

Conditions
ConditionsYield
With deuteriated sodium hydroxide; water-d2 at 100℃;

A

d(4)-methanol
811-98-3

d(4)-methanol

B

C5H8(2)H4O2

C5H8(2)H4O2

Conditions
ConditionsYield
With perchloric acid; sodium perchlorate; water-d2 In tetrahydrofuran at 25℃; pH 13.9;
N-(dimethylphosphoryl)ethyleneimine
469-47-6

N-(dimethylphosphoryl)ethyleneimine

A

1-deuteroaziridine
5381-40-8

1-deuteroaziridine

B

d(4)-methanol
811-98-3

d(4)-methanol

C

sodium dimethyl phosphate
32586-82-6

sodium dimethyl phosphate

Conditions
ConditionsYield
With deuteriated sodium hydroxide In water-d2 at 31℃; Product distribution; Rate constant; dependence of relative reactivity of the P-O and P-N bond on OD(1-) concentration;

A

<2H1>methan<2H>ol
53952-42-4

<2H1>methan<2H>ol

B

deuteromethanol
1455-13-6

deuteromethanol

C

d(4)-methanol
811-98-3

d(4)-methanol

D

CD2HOD
53952-43-5

CD2HOD

E

methylamine
74-89-5

methylamine

Conditions
ConditionsYield
With phosphate buffer In water at 25℃; Rate constant; Product distribution; Mechanism; further buffer, different pH; solvent isotope effects were measured;
methane
558-20-3

methane

A

deuterated methyl radical
2122-44-3

deuterated methyl radical

B

d(4)-methanol
811-98-3

d(4)-methanol

Conditions
ConditionsYield
FeO(1+) Product distribution;
deuteromethanol
1455-13-6

deuteromethanol

methoxide-d3 anion
51679-31-3

methoxide-d3 anion

A

d(4)-methanol
811-98-3

d(4)-methanol

B

methanolate
3315-60-4

methanolate

Conditions
ConditionsYield
at 26.9℃; under 0.3 - 0.6 Torr; Thermodynamic data; Rate constant; ΔH; selected ion flow tube;
at 26.9℃; under 0.3 - 0.6 Torr; Thermodynamic data; Rate constant; Equilibrium constant; ΔH; selected ion flow tube;
deuteromethanol
1455-13-6

deuteromethanol

C(2)H4O*CH3O(1-)

C(2)H4O*CH3O(1-)

A

d(4)-methanol
811-98-3

d(4)-methanol

B

CH3(2)HO*CH3O(1-)

CH3(2)HO*CH3O(1-)

Conditions
ConditionsYield
With helium In gas under 0.5 Torr; Rate constant; Thermodynamic data; Mechanism; Ambient temperature; ΔH;
deuteromethanol
1455-13-6

deuteromethanol

C(2)H4O*C(2)H3O(1-)

C(2)H4O*C(2)H3O(1-)

A

d(4)-methanol
811-98-3

d(4)-methanol

B

C(2)H4O*CH3O(1-)

C(2)H4O*CH3O(1-)

Conditions
ConditionsYield
With helium In gas under 0.5 Torr; Rate constant; Thermodynamic data; Mechanism; Ambient temperature; ΔH;
1,1,1-trideuteromethanol
1849-29-2

1,1,1-trideuteromethanol

C(2)H4O*C(2)H3O(1-)

C(2)H4O*C(2)H3O(1-)

A

d(4)-methanol
811-98-3

d(4)-methanol

B

C(2)H3O(1-)*CH(2)H3O

C(2)H3O(1-)*CH(2)H3O

Conditions
ConditionsYield
With helium In gas under 0.5 Torr; Rate constant; Thermodynamic data; Mechanism; Ambient temperature; ΔH;
N,N-dimethyl-O,O-dimethylphosphoramidate
597-07-9

N,N-dimethyl-O,O-dimethylphosphoramidate

A

d(4)-methanol
811-98-3

d(4)-methanol

B

sodium methyl-dimethylamidophosphate
63581-80-6

sodium methyl-dimethylamidophosphate

Conditions
ConditionsYield
With deuteriated sodium hydroxide In water-d2 at 25℃; Rate constant; relative reactivity of the P-O and P-N bond;
(N-Nitrosomethylamino)methyl acetate
56856-83-8

(N-Nitrosomethylamino)methyl acetate

A

<2H1>methan<2H>ol
53952-42-4

<2H1>methan<2H>ol

B

deuteromethanol
1455-13-6

deuteromethanol

C

d(4)-methanol
811-98-3

d(4)-methanol

D

CD2HOD
53952-43-5

CD2HOD

Conditions
ConditionsYield
With water-d2 at 20℃; for 14h; Product distribution; pH=7.4, other methyldiazonium ion sources;
C(2)H4NO3(1+)

C(2)H4NO3(1+)

benzene
71-43-2

benzene

A

d(4)-methanol
811-98-3

d(4)-methanol

B

C6H6NO2(1+)

C6H6NO2(1+)

Conditions
ConditionsYield
at 26.9℃; Rate constant; Mechanism; other arenes;
dichloromethane
75-09-2

dichloromethane

A

d(4)-methanol
811-98-3

d(4)-methanol

B

formate
14806-23-6

formate

Conditions
ConditionsYield
With deuteriated sodium hydroxide In water-d2 at 250℃; Product distribution;
carbon monoxide

carbon monoxide

d(4)-methanol
811-98-3

d(4)-methanol

Conditions
ConditionsYield
With copper-zinc-chromium oxide; deuterium
CO

CO

d(4)-methanol
811-98-3

d(4)-methanol

Conditions
ConditionsYield
With copper-zinc-chromium oxide; deuterium at 280℃; under 2574.3 Torr;
1,1,1-trideuteromethanol
1849-29-2

1,1,1-trideuteromethanol

A

d(4)-methanol
811-98-3

d(4)-methanol

B

methyl[D4] formate
23731-40-0

methyl[D4] formate

C

H2O

H2O

Conditions
ConditionsYield
With oxygen at -148.1 - 126.9℃; Product distribution; Mechanism; in a stainless steel vacuum chamber with a base pressure 8E-10 torr; temperature-programmed reaction spectroscopy;
C(2)H3O(1-)*(2)H2O

C(2)H3O(1-)*(2)H2O

A

d(4)-methanol
811-98-3

d(4)-methanol

B

O(2)H(1-)8((2)H)2O

O(2)H(1-)8((2)H)2O

Conditions
ConditionsYield
With water-d2 at 196.9 - 276.9℃; Thermodynamic data; -ΔH0, -ΔS0;
C27H28(2)H3N3O5

C27H28(2)H3N3O5

A

(-)-avrainvillamide
851959-12-1

(-)-avrainvillamide

B

d(4)-methanol
811-98-3

d(4)-methanol

Conditions
ConditionsYield
at 23℃; Equilibrium constant;
trideuterio-methyloxyl
7263-60-7

trideuterio-methyloxyl

A

paraformaldehyde-d2
1664-98-8

paraformaldehyde-d2

B

d(4)-methanol
811-98-3

d(4)-methanol

Conditions
ConditionsYield
In gas Kinetics;
1,1,1-trideuteromethanol
1849-29-2

1,1,1-trideuteromethanol

A

paraformaldehyde-d2
1664-98-8

paraformaldehyde-d2

B

d(4)-methanol
811-98-3

d(4)-methanol

Conditions
ConditionsYield
With titanium(IV) oxide at -173.16℃; for 0.5h; Irradiation;
methane
34557-54-5

methane

d(4)-methanol
811-98-3

d(4)-methanol

Conditions
ConditionsYield
With sulfuric acid-d2 In dimethyl sulfoxide at 180℃; under 25858.1 Torr; for 1h; Kinetics; Inert atmosphere;
1,1,1-trideuteromethanol
1849-29-2

1,1,1-trideuteromethanol

A

d(4)-methanol
811-98-3

d(4)-methanol

B

CD2HOD
53952-43-5

CD2HOD

Conditions
ConditionsYield
With hydrogen In water at 240℃; under 55055.5 Torr;
ethylene glycol-d2
2219-52-5

ethylene glycol-d2

A

<2H1>methan<2H>ol
53952-42-4

<2H1>methan<2H>ol

B

deuteromethanol
1455-13-6

deuteromethanol

C

d(4)-methanol
811-98-3

d(4)-methanol

D

CD2HOD
53952-43-5

CD2HOD

E

C2H3(2)H3O2

C2H3(2)H3O2

F

C2H2(2)H4O2

C2H2(2)H4O2

G

C2H2(2)H4O2

C2H2(2)H4O2

Conditions
ConditionsYield
With hydrogen In water-d2 at 240℃; under 55055.5 Torr;
methanol
67-56-1

methanol

d(4)-methanol
811-98-3

d(4)-methanol

Conditions
ConditionsYield
With d8-isopropanol; carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)-amino]ruthenium(II); potassium carbonate at 140℃; for 3h; Glovebox;94 %Spectr.
Dimethyl ether
115-10-6

Dimethyl ether

carbon dioxide
124-38-9

carbon dioxide

A

ethanol-d6
1516-08-1

ethanol-d6

B

d(4)-methanol
811-98-3

d(4)-methanol

C

carbon monoxide
201230-82-2

carbon monoxide

Conditions
ConditionsYield
With tris(triphenylphosphine)ruthenium(II) chloride; deuterium; cobalt(II) iodide; lithium iodide at 180℃; for 12h;
carbon monoxide
201230-82-2

carbon monoxide

A

paraformaldehyde-d2
1664-98-8

paraformaldehyde-d2

B

deuterioformyl
24286-05-3

deuterioformyl

C

d(4)-methanol
811-98-3

d(4)-methanol

D

dideuterioformic acid
920-42-3

dideuterioformic acid

E

carbon dioxide
124-38-9

carbon dioxide

F

trans-DOCO

trans-DOCO

G

carbon dioxide
1111-72-4

carbon dioxide

H

(18)CO2

(18)CO2

Conditions
ConditionsYield
With water-d2 for 2h; Irradiation;
carbon dioxide
124-38-9

carbon dioxide

A

methane
558-20-3

methane

B

d(4)-methanol
811-98-3

d(4)-methanol

C

carbon monoxide
201230-82-2

carbon monoxide

Conditions
ConditionsYield
With deuterium at 170℃; under 750.075 Torr; Catalytic behavior; Reagent/catalyst;
d(4)-methanol
811-98-3

d(4)-methanol

2-acetoxybenzaldehyde
5663-67-2

2-acetoxybenzaldehyde

2-hydroxybenzaldehyde (D6)dimethyl acetal

2-hydroxybenzaldehyde (D6)dimethyl acetal

Conditions
ConditionsYield
With sodium methoxide-d3 for 0.116667h; Ambient temperature;100%
d(4)-methanol
811-98-3

d(4)-methanol

Acetic acid 9-methoxymethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl ester
186697-28-9

Acetic acid 9-methoxymethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl ester

trideuteriomethoxy-9-trideuteriomethoxymethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

trideuteriomethoxy-9-trideuteriomethoxymethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

Conditions
ConditionsYield
at 55 - 60℃; for 12h;100%
d(4)-methanol
811-98-3

d(4)-methanol

dimethyl phosphate anion
7351-83-9

dimethyl phosphate anion

C2(2)H6O4P(1-)

C2(2)H6O4P(1-)

Conditions
ConditionsYield
With octaazamacrocyclic copper(II) at 55℃; for 72h; Kinetics; Further Variations:; Temperatures; Reagents;100%
d(4)-methanol
811-98-3

d(4)-methanol

4,4,6,6-tetramethyl-2-(trifluoroacetyl)cyclohex-2-enone
427898-76-8

4,4,6,6-tetramethyl-2-(trifluoroacetyl)cyclohex-2-enone

C13H15(2)H4F3O3

C13H15(2)H4F3O3

Conditions
ConditionsYield
100%
4,5-dihydro-6H-cyclopenta[b]thiophen-6-one
5650-52-2

4,5-dihydro-6H-cyclopenta[b]thiophen-6-one

d(4)-methanol
811-98-3

d(4)-methanol

potassium carbonate
584-08-7

potassium carbonate

5,5-Dideutero-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one
133899-08-8

5,5-Dideutero-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one

Conditions
ConditionsYield
In benzene100%
d(4)-methanol
811-98-3

d(4)-methanol

4-Fluoronitrobenzene
350-46-9

4-Fluoronitrobenzene

1-(methoxy-d3)-4-nitrobenzene
54536-23-1

1-(methoxy-d3)-4-nitrobenzene

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran at 15 - 25℃; for 5h;100%
With potassium hydroxide at 20℃; for 36h; Inert atmosphere; Reflux;93%
bis(tetrabutylammonium)-decahydro-closo-decaborate

bis(tetrabutylammonium)-decahydro-closo-decaborate

d(4)-methanol
811-98-3

d(4)-methanol

(Bu4N)2[1,10-B10H8D2]

(Bu4N)2[1,10-B10H8D2]

Conditions
ConditionsYield
In d(4)-methanol soln. of borate in deuterated MeOH was stored for 3 days at 20°C; solvent distilled off at 20°C in vac.;100%
d(4)-methanol
811-98-3

d(4)-methanol

(5,10,15,20-tetrakis(p-tolyl)porphyrinato)carbonyliridium(III) chloride
872415-81-1

(5,10,15,20-tetrakis(p-tolyl)porphyrinato)carbonyliridium(III) chloride

(5,10,15,20-tetra-p-tolylporphyrinato)(methyl-d3)iridium(III)
872415-80-0

(5,10,15,20-tetra-p-tolylporphyrinato)(methyl-d3)iridium(III)

Conditions
ConditionsYield
In tetradeuteriomethanol (N2), 200°C, 23 days; column chromy.;100%
at 200℃; for 552h; Sealed tube;100%
With KOH In methanol (N2), 200°C, 1 day;70%
d(4)-methanol
811-98-3

d(4)-methanol

C4(2)H12BO4(1+)*Na(1+)

C4(2)H12BO4(1+)*Na(1+)

Conditions
ConditionsYield
With sodium tetrahydroborate100%
d(4)-methanol
811-98-3

d(4)-methanol

3,5-di(methoxycarbonyl)-N-[(pentafluorophenyl)methyl]pyridinium bromide

3,5-di(methoxycarbonyl)-N-[(pentafluorophenyl)methyl]pyridinium bromide

N-(pentafluorobenzyl)-2-(trideuteromethoxy)-1,2-dihydropyridine

N-(pentafluorobenzyl)-2-(trideuteromethoxy)-1,2-dihydropyridine

Conditions
ConditionsYield
With diethylaminomethyl polystyrene In chloroform-d1 at 20℃; for 0.166667h;100%
d(4)-methanol
811-98-3

d(4)-methanol

3,6-dichloro-4-(d7-p-tolyl)-5-(d5-phenyl)pyridazine-4,5-13C2

3,6-dichloro-4-(d7-p-tolyl)-5-(d5-phenyl)pyridazine-4,5-13C2

3,6-di(d3-methoxy)-4-(d7-p-tolyl)-5-(d5-phenyl)pyridazine-4,5-13C2

3,6-di(d3-methoxy)-4-(d7-p-tolyl)-5-(d5-phenyl)pyridazine-4,5-13C2

Conditions
ConditionsYield
With sodium hydride In mineral oil for 24h; Reflux;100%
d(4)-methanol
811-98-3

d(4)-methanol

C10H7(2)H5O4

C10H7(2)H5O4

C11H6(2)H8O4

C11H6(2)H8O4

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 30℃;100%
d(4)-methanol
811-98-3

d(4)-methanol

diphenyl(1-(p-tolyl)-9H-carbazol-9-yl)phosphine oxide

diphenyl(1-(p-tolyl)-9H-carbazol-9-yl)phosphine oxide

methyl-d3 diphenylphosphinate

methyl-d3 diphenylphosphinate

Conditions
ConditionsYield
With trifluorormethanesulfonic acid In 1,4-dioxane at 60℃;100%
d(4)-methanol
811-98-3

d(4)-methanol

2,6-di-tert-butylphenol
128-39-2

2,6-di-tert-butylphenol

(4-(2)H)-2,6-Di-tert-butylphenol

(4-(2)H)-2,6-Di-tert-butylphenol

Conditions
ConditionsYield
With sodium methoxide-d3 at 50℃; for 24h; Methylation; Substitution;99%
d(4)-methanol
811-98-3

d(4)-methanol

isopropyloxy(diphenyl)-λ6-sulfanenitrile
143885-03-4

isopropyloxy(diphenyl)-λ6-sulfanenitrile

A

S,S-diphenylsulphoximine
22731-83-5

S,S-diphenylsulphoximine

B

2-trideuteriomethoxy-propane
29366-06-1

2-trideuteriomethoxy-propane

Conditions
ConditionsYield
at 20℃; for 2h;A n/a
B 99%
2-((E)-3-Phenyl-allyl)-2-prop-2-ynyl-propane-1,3-diol

2-((E)-3-Phenyl-allyl)-2-prop-2-ynyl-propane-1,3-diol

d(4)-methanol
811-98-3

d(4)-methanol

C16H16(2)H6O3

C16H16(2)H6O3

Conditions
ConditionsYield
bis(1,5-cyclooctadiene)diiridium(I) dichloride at 20℃; for 0.5h;99%
d(4)-methanol
811-98-3

d(4)-methanol

tetrabutylammonium 2-(ammonio)nonahydro-closo-decaborate(1-)

tetrabutylammonium 2-(ammonio)nonahydro-closo-decaborate(1-)

[Bu4N][1-D-6-D3N-B10H9]

[Bu4N][1-D-6-D3N-B10H9]

Conditions
ConditionsYield
In d(4)-methanol at room temp. for 1 wk; evapd. (vac.);99%
[tris(2-mercapto-1-phenylimidazolyl)hydroborato]ZnSCH2C(O)N(H)Ph

[tris(2-mercapto-1-phenylimidazolyl)hydroborato]ZnSCH2C(O)N(H)Ph

d(4)-methanol
811-98-3

d(4)-methanol

[tris(2-mercapto-1-phenylimidazolyl)hydroborato]ZnSCH2C(O)N(D)Ph

[tris(2-mercapto-1-phenylimidazolyl)hydroborato]ZnSCH2C(O)N(D)Ph

Conditions
ConditionsYield
In chloroform-d1 a soln. of Zn complex treated with methanol-d4, kept at room temp. for ca. 30 min; evapd. (vac.);99%
quinazolin-4-ylhydrazine
36075-44-2

quinazolin-4-ylhydrazine

d(4)-methanol
811-98-3

d(4)-methanol

C9H5(2)H3N2O
1044276-53-0

C9H5(2)H3N2O

Conditions
ConditionsYield
With ammonium cerium (IV) nitrate at 20℃;99%
4-(5-bromo-2-chlorobenzyl)phenol
864070-18-8

4-(5-bromo-2-chlorobenzyl)phenol

d(4)-methanol
811-98-3

d(4)-methanol

4-bromo-1-chloro-2-(4-(methoxy-d3)benzyl)benzene
1204219-82-8

4-bromo-1-chloro-2-(4-(methoxy-d3)benzyl)benzene

Conditions
ConditionsYield
Stage #1: 4-(5-bromo-2-chlorobenzyl)phenol With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 30℃; for 0.5h;
Stage #2: d(4)-methanol In tetrahydrofuran at 30℃;
99%
d(4)-methanol
811-98-3

d(4)-methanol

10-butyl-2-chloro-10,10a-dihydroacridin-9(8aH)-one
128420-54-2

10-butyl-2-chloro-10,10a-dihydroacridin-9(8aH)-one

10-n-butyl-2-trideuteriomethoxyacridin-9(10H)-one
1448366-56-0

10-n-butyl-2-trideuteriomethoxyacridin-9(10H)-one

Conditions
ConditionsYield
With t-BuBrettPhos; [(2-di-tert-butylphosphino-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1’-biphenyl)-2-(2’-amino-1,1‘-biphenyl)]palladium(II) methanesulfonate; sodium t-butanolate In 1,4-dioxane at 20℃; for 20h; Sealed tube; Inert atmosphere;99%
d(4)-methanol
811-98-3

d(4)-methanol

C11H13BrN2O5

C11H13BrN2O5

C10H7(2)H2BrN2O4

C10H7(2)H2BrN2O4

Conditions
ConditionsYield
at 23℃; for 1h; Inert atmosphere;99%
d(4)-methanol
811-98-3

d(4)-methanol

1-diazo-4-phenyl-2-butanone
10290-42-3

1-diazo-4-phenyl-2-butanone

C11H11(2)H3O2

C11H11(2)H3O2

Conditions
ConditionsYield
With [(palladium)4]0.5 supported Na3[nickel(II)4[(copper(II))2(N,N'-2,4,6-trimethyl-1,3-phenylenebis(oxamate))2]]*56H2O In toluene at 80℃;99%
d(4)-methanol
811-98-3

d(4)-methanol

C10H4(2)H4O3

C10H4(2)H4O3

C11H4(2)H6O3

C11H4(2)H6O3

Conditions
ConditionsYield
With thionyl chloride In dichloromethane at 0 - 20℃; for 3h;99%
d(4)-methanol
811-98-3

d(4)-methanol

isocyanoacetic acid methyl ester
39687-95-1

isocyanoacetic acid methyl ester

aurone
37542-14-6

aurone

C19H9(2)H6NO4

C19H9(2)H6NO4

Conditions
ConditionsYield
With sodium hydroxide at 20℃; for 12h;99%
d(4)-methanol
811-98-3

d(4)-methanol

3-(3-hydroxyphenyl)-propanoic acid
621-54-5

3-(3-hydroxyphenyl)-propanoic acid

C10H6(2)H6O3

C10H6(2)H6O3

Conditions
ConditionsYield
With sulfuric acid-d2 at 60℃; Sealed tube;99%
4-hydroxy-3-ethoxybenzaldehyde
121-32-4

4-hydroxy-3-ethoxybenzaldehyde

d(4)-methanol
811-98-3

d(4)-methanol

3-ethoxy-4-(d3-methoxy)-benzaldehyde
1258598-02-5

3-ethoxy-4-(d3-methoxy)-benzaldehyde

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 30℃; for 2h;99%
d(4)-methanol
811-98-3

d(4)-methanol

2-acetoxy-3,5-dibromobenzaldehyde
109165-13-1

2-acetoxy-3,5-dibromobenzaldehyde

3,5-dibromo-2-hydroxybenzaldehyde (D6)dimethyl acetal

3,5-dibromo-2-hydroxybenzaldehyde (D6)dimethyl acetal

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane In chloroform-d1 for 0.05h;98%
d(4)-methanol
811-98-3

d(4)-methanol

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

methyl-d3 4-methylbenzenesulfonate
7575-93-1

methyl-d3 4-methylbenzenesulfonate

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran; water at -5 - 0℃; for 6.5h;98%
With sodium hydroxide In water; toluene at 0 - 40℃;98%
With sodium hydroxide In tetrahydrofuran; water at 0℃; for 4h;96%
d(4)-methanol
811-98-3

d(4)-methanol

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

[2H3]methyl methanesulfonate
91419-94-2

[2H3]methyl methanesulfonate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃; for 1h;98%
With triethylamine In dichloromethane at -30℃; for 3h;66%
Stage #1: d(4)-methanol With triethylamine In dichloromethane at -30℃; for 0.25h;
Stage #2: methanesulfonyl chloride In dichloromethane at -30 - 20℃; for 1h;
49%
With triethylamine In dichloromethane at -30 - -20℃; for 1h;43%

811-98-3Relevant articles and documents

Experimental study on the mechanism of gas-phase aromatic nitration by protonated methyl nitrate

Aschi, Massimiliano,Attinà, Marina,Cacace, Fulvio,Ricci, Andreina

, p. 9535 - 9542 (1994)

The mechanism of gas-phase aromatic substitution by (CH3ONO2)H+ ions has been studied by a combination of FT-ICR mass spectrometry and atmospheric pressure radiolytic techniques. Clarifying a long-standing ambiguity, the ICR results characterize the CH3OH-NO2+ complex (1), in essence a nitronium ion solvated by a methanol molecule, as the nitrating agent, whereas the CH3NO2H+ isomer (2) is devoid of nitrating properties and reacts with benzene exclusively as a Br?nsted acid. Indeed, the reaction with benzene has been exploited as an ICR "titration" technique to evaluate the relative abundances of 1 and 2 in mixed populations of (CH3ONO2)H+ ions from different preparative procedures. Radiolytic nitration of p-H-toluene-d7 and p-D-toluene-h7 leads to intraannular hydron migration from the ipso nitrated position, whose rate has been estimated to be ca. 1.6 × 106 s-1 at 315 K. The mutually supporting evidence from the ICR and the radiolytic experiments outlines a reaction mechanism involving preliminary formation of a Wheland intermediate from the attack of 1 on the arene, followed by its isomerization into the more stable O-protonated nitrobenzene structure via a proton shift whose rate is estimated to be ca. 3.6 × 107s-1 at 315 K. The results are compared with those of a recent theoretical analysis of the mechanism of aromatic nitration by isomeric (CH3ONO2)H+ ions, and their correlation with condensed-phase nitration is briefly discussed.

Formation of Glyoxylic Acid in Interstellar Ices: A Key Entry Point for Prebiotic Chemistry

Eckhardt, André K.,Bergantini, Alexandre,Singh, Santosh K.,Schreiner, Peter R.,Kaiser, Ralf I.

supporting information, p. 5663 - 5667 (2019/03/29)

With nearly 200 molecules detected in interstellar and circumstellar environments, the identification of the biologically relevant α-keto carboxylic acid, glyoxylic acid (HCOCOOH), is still elusive. Herein, the formation of glyoxylic acid via cosmic-ray driven, non-equilibrium chemistry in polar interstellar ices of carbon monoxide (CO) and water (H2O) at 5 K via barrierless recombination of formyl (HCO) and hydroxycarbonyl radicals (HOCO) is reported. In temperature-programmed desorption experiments, the subliming neutral molecules were selectively photoionized and identified based on the ionization energy and distinct mass-to-charge ratios in combination with isotopically labeled experiments exploiting reflectron time-of-flight mass spectrometry. These studies unravel a key reaction path to glyoxylic acid, an organic molecule formed in interstellar ices before subliming in star-forming regions like SgrB2(N), thus providing a critical entry point to prebiotic organic synthesis.

Aqueous phase hydrodeoxygenation of polyols over Pd/WO3-ZrO2: Role of Pd-WO3 interaction and hydrodeoxygenation pathway

Liu, Changjun,Sun, Junming,Brown, Heather M.,Marin-Flores, Oscar G.,Bays, J. Timothy,Karim, Ayman M.,Wang, Yong

, p. 103 - 109 (2016/05/11)

Aqueous phase processing of biomass derived sugar alcohols is one of the promising routes to convert biomass into fuels and chemicals. Bifunctional catalysts are critical in the aqueous phase hydrodeoxygenation of sugar alcohol. Understanding the interaction between metal and acidic metal oxides as well as the hydrodeoxygenation pathways will help develop more efficient bifunctional catalysts. Here, tungstated zirconia supported palladium catalysts were prepared and further characterized using nitrogen sorption, X-ray diffraction, FT-IR analysis of adsorbed pyridine, CO chemisorption and diffuse reflectance UV-vis. Strong interaction between palladium and WO3 in addition to a synergetic effect of the acidic and metallic sites were found to promote the aqueous phase hydrodeoxygenation of ethylene glycol. H-D exchange experiments using 13C{1H} NMR spectroscopy confirmed that the aqueous phase hydrodeoxygenation follows a dehydration-hydrogenation pathway. The hydrogenation of the dehydration products shifts the dehydration-hydration equilibrium toward the dehydration pathway and leads to highly selective C-O cleavage.

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