Cyclohexene-d10

Base Information

• Chemical Name: Cyclohexene-d10
• CAS No.: 16035-50-0
• Molecular Formula: C8H18SiSn
• Molecular Weight: 261.026
• European Community (EC) Number: 693-208-1
• DSSTox Substance ID: DTXSID00583823
• Nikkaji Number: J956.904I
• Wikidata: Q82475423
• Mol file: 16035-50-0.mol

Synonyms:Cyclohexene-d10;1603-55-0;16035-50-0;1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexene;(~2~H_10_)Cyclohexene;perdeutero cyclohexene;CYCLOHEXENE-D10, 98 ATOM % D;Cyclohexene-d10,98 atom % d;DTXSID00583823;D99173;J-009713

Chemical Property of Cyclohexene-d10

Chemical Property:

• Vapor Pressure: 77mmHg at 25°C
• Melting Point: ?104?°C(lit.)
• Refractive Index: n20/D 1.442(lit.)
• Boiling Point: 85.6oC at 760 mmHg
• Flash Point: 10?°F
• PSA: 0.00000
• Density: 0.924g/cm3
• LogP: 2.11660
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 92.141017778
• Heavy Atom Count: 6
• Complexity: 45.1

Purity/Quality:

97% ^*data from raw suppliers

CYCLOHEXENE-D10 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC=CC1
• Isomeric SMILES: [2H]C1=C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]

Technology Process of Cyclohexene-d10

There total 7 articles about Cyclohexene-d10 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

trimethyltin(IV)chloride (1066-45-1) + trimethylsilylacetylene (1066-54-2) → trimethyl(trimethylstannanylethynyl)silane (16035-50-0)

Guidance literature:

With n-butyllithium; In diethyl ether; hexane; Addn. of butyl-lithium in hexane to a soln. of the alkyne in anhyd. ether at -30°C, stirring for 15 min under dry N2, addn. of a soln. of the trialkylchlorostannane in ether, stirring for 30 min, rising temp. to room temp. during 1h.; Addn. of light petroleum, filtration under a stream of dry N2, evapn., distn. at reduced pressure.;

Reference yield: 86.5%

Diethylamino-trimethyl-stannan (1068-74-2) + trimethylsilylacetylene (1066-54-2) → trimethyl(trimethylstannanylethynyl)silane (16035-50-0)

Guidance literature:

In neat (no solvent); stirring a mixture of the acetylene and the stannane for 15 min at roomtemp. under inert atmosphere; bulb to bulb distillation;

DOI:10.1021/ja00241a035

Reference yield: 71.0%

trimethyltin(IV)chloride (1066-45-1) + lithium trimethylsilylacetylenide (54655-07-1) → trimethyl(trimethylstannanylethynyl)silane (16035-50-0)

Guidance literature:

In tetrahydrofuran; under N2, addn. of Li-compd. in THF over 30 min at 0°C to Me3SnCl in THF, stirred for 18 h; removal of solvent, residue washed with water, extd. (ether), recrystd. (hexane);

DOI:10.1139/v93-209

upstream raw materials:

lithium trimethylsilylacetylenide

trimethyltin(IV)chloride

trimethylsilylacetylene

(trimethylsilyl)ethynylmagnesium bromide

Downstream raw materials:

Trimethylzinnchloracetat

(2,3,-bis[trimethylsilylethynyl]-5,10,15,20-tetraphenylporphyrinato)platinum(II)

CH₃C₅H₃NCCSn(CH₃)3

2-methyl-5-trimethylsilanylethynyl-pyridine

Refernces

• 1、 Unseld, Dieter,Krivykh, Vassily V.,Heinze, Katja,Wild, Ferdinand,Artus, Georg,Schmalle, Helmut,Berke, Heinz. "Versatile routes to mono- and bis(alkynyl) manganese(II) and manganese (III) complexes via manganocenes". . p. 1525 - 1541. Retrieved 2008/10/08.
• 2、 Bunz, Uwe H. F.,Jutta. "Alkynyl-siibstituted tricarbonyl(cyclobutadlene)iron complexes: coupling of complexes sfannylalkynes". . p. 785 - 797. Retrieved 2007/10/03.