• Name

  STYRENE-2,3,4,5,6-D5

• EINECS
• CAS No. 5161-29-5
• Article Data11
• CAS DataBase
• Density 0.952 g/mL at 25 ºC(lit.)
• Solubility
• Melting Point
• Formula C8H3 D5
• Boiling Point 50-51 ºC 25 mm Hg(lit.)
• Molecular Weight 109.112
• Flash Point 88 °F
• Transport Information UN 2055 3
• Appearance
• Safety 23
• Risk Codes 10-20-36/38
• Molecular Structure
• Hazard Symbols Xn
• Synonyms Benzene-d5,ethenyl- (9CI); Styrene-2,3,4,5,6-d5 (7CI,8CI); 2,3,4,5,6-Pentadeuteriostyrene
• PSA 0.00000
• LogP 2.32960

Synthetic route

879549-74-3

(1-bromoethyl)(D5)benzene

5161-29-5

styrene-2,3,4,5,6-d5

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran for 0.5h;	65%

14132-51-5

2,3,4,5,6-pentadeuteriobenzaldehyde

1779-49-3

Methyltriphenylphosphonium bromide

5161-29-5

styrene-2,3,4,5,6-d5

90162-45-1

1-[2',3',4',5',6'-2H5]phenylethanol

5161-29-5

styrene-2,3,4,5,6-d5

Conditions

Conditions	Yield
dehydratisation;
With toluene-4-sulfonic acid
Multi-step reaction with 2 steps 1: 87 percent / AcBr / 0.33 h / 0 - 20 °C 2: 65 percent / potassium tert-butoxide / tetrahydrofuran / 0.5 h View Scheme

d5-8-Quinolinyl phenyl ketone

A

90029-06-4

1-(quinolin-8-yl)propan-1-one

B

5161-29-5

styrene-2,3,4,5,6-d5

Conditions

Conditions	Yield
With pyridine; <(C2H4)RhCl>2 Mechanism; 1.) benzene, 80 deg C, 6 atm;

35845-63-7

[phenyl-2H5]phenylethyl alcohol

5161-29-5

styrene-2,3,4,5,6-d5

Conditions

Conditions	Yield
With copper(II) sulfate at 120℃; Dehydration;

4165-57-5

bromobenzene-d5

5161-29-5

styrene-2,3,4,5,6-d5

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: magnesium ribbon / diethyl ether 2: CuSO4 / 120 °C View Scheme
Multi-step reaction with 2 steps 1: 1.) Mg; 2: p-TsOH View Scheme

1076-43-3

benzene-d6

5161-29-5

styrene-2,3,4,5,6-d5

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: bromine; iron 2: magnesium ribbon / diethyl ether 3: CuSO4 / 120 °C View Scheme
Multi-step reaction with 3 steps 1: AlCl3 / CS2 2: LiAlH4 3: dehydratisation View Scheme

28077-64-7

acetophenone-d5

5161-29-5

styrene-2,3,4,5,6-d5

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: LiAlH4 2: dehydratisation View Scheme

74-85-1

ethene

1076-43-3

benzene-d6

5161-29-5

styrene-2,3,4,5,6-d5

Conditions

Conditions	Yield
With (N,N'-bis(pentafluorophenyl)-2,3-dimethyl-1,4-diaza-1,3-butadiene)Rh(OAc)(η2-C2H4); copper(II) dipivaloate In 1,4-dioxane at 150℃; under 3345.86 Torr; for 3h; Pressure;
With palladium diacetate; copper(II) dipivaloate at 150℃; under 3345.86 Torr; for 2.5h; Catalytic behavior; Kinetics; Sealed tube;

5161-29-5

styrene-2,3,4,5,6-d5

775-12-2

diphenylsilane

1355957-02-6

C20H15(2)H5Si

Conditions

Conditions	Yield
With dibromobis(triphenylphosphine)nickel(II) In tetrahydrofuran at 80℃; for 1h; Inert atmosphere; regioselective reaction;	83%

1151449-48-7

C6H2(2)H4N2O4S

5161-29-5

styrene-2,3,4,5,6-d5

1151449-53-4

C14H3(2)H9N2O4S

Conditions

Conditions	Yield
With tert-butylhypochlorite; sodium iodide In acetonitrile at 20℃; for 7h; Inert atmosphere;	58%

5161-29-5

styrene-2,3,4,5,6-d5

25837-46-1

ethynylbenzene-D5

Conditions

Conditions	Yield
With bromine Multistep reaction;

5161-29-5

styrene-2,3,4,5,6-d5

A

C8H3(2)H4NO2

B

<3,4,5,6-D4>-2-nitrostyrene

Conditions

Conditions	Yield
With nitric acid In acetic anhydride

5161-29-5

styrene-2,3,4,5,6-d5

A

13657-09-5

benzene-d5

B

74-86-2

acetylene

Conditions

Conditions	Yield
Product distribution; Mechanism; Irradiation; bicyclo<4.2.0>octa-2,4,7-triene as intermediate;

5161-29-5

styrene-2,3,4,5,6-d5

A

2-phenyl-d5-acetaldehyde

B

28077-64-7

acetophenone-d5

Conditions

Conditions	Yield
With water; palladium dichloride In N,N-dimethyl-formamide at 20℃; Wacker reaction; Title compound not separated from byproducts;

5161-29-5

styrene-2,3,4,5,6-d5

3-(phenyl-d5)prop-2-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.)Br2, 2.) base 2: EtMgBr View Scheme

5161-29-5

styrene-2,3,4,5,6-d5

1-(3-bromoprop-1-yn-1-yl)-pentadeuteriobenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1.)Br2, 2.) base 2: EtMgBr 3: Br2, (C6H5)3P / CCl4 View Scheme

5161-29-5

styrene-2,3,4,5,6-d5

C16H9(2)H5O2

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 1.)Br2, 2.) base 2: EtMgBr 3: Br2, (C6H5)3P / CCl4 4: liquid ammonia View Scheme

Grubbs catalyst first generation

5161-29-5

styrene-2,3,4,5,6-d5

(tricyclohexylphosphine)2Cl2Ru(=CHC6D5)

Conditions

Conditions	Yield
In benzene-d6 Kinetics; 7°C; not sepd.; NMR spectroscopy;

5161-29-5

styrene-2,3,4,5,6-d5

775-12-2

diphenylsilane

1355957-04-8

C20H14(2)H4Si

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dibromobis(triphenylphosphine)nickel(II) / tetrahydrofuran / 1 h / 80 °C / Inert atmosphere 2: (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; norbornene; 4,4'-di-tert-butyl-2,2'-bipyridine / tetrahydrofuran / 12 h / 80 °C / Inert atmosphere View Scheme

Styrene-2,3,4,5,6-D5 Chemical Properties

Styrene-2,3,4,5,6-D5 Uses

Styrene-2,3,4,5,6-D5 Safety Profile