1-Ethynyl-4-dodecyloxybenzene

Base Information

• Chemical Name: 1-Ethynyl-4-dodecyloxybenzene
• CAS No.: 121051-42-1
• Molecular Formula: C20H30 O
• Molecular Weight: 286.458
• DSSTox Substance ID: DTXSID90452291
• Nikkaji Number: J1.592.836K
• Wikidata: Q82272825
• Mol file: 121051-42-1.mol

Synonyms:121051-42-1;1-ethynyl-4-dodecyloxybenzene;1-dodecoxy-4-ethynylbenzene;Benzene,1-(dodecyloxy)-4-ethynyl-;1-DODECYLOXY-4-ETHYNYL-BENZENE;Dodecyl 4-ethynylphenyl ether;(dodecyloxy)-4-ethynylbenzene;SCHEMBL2832393;1-(Dodecyloxy)-4-ethynylbenzene;DTXSID90452291;LMBLUYJLMWNVGH-UHFFFAOYSA-N

Chemical Property of 1-Ethynyl-4-dodecyloxybenzene

Chemical Property:

• Vapor Pressure: 9.12E-06mmHg at 25°C
• Refractive Index: 1.499
• Boiling Point: 384.3°C at 760 mmHg
• Flash Point: 184.3°C
• PSA: 9.23000
• Density: 0.92g/cm³
• LogP: 5.96760
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 286.229665576
• Heavy Atom Count: 21
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

1-DODECYLOXY-4-ETHYNYL-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC1=CC=C(C=C1)C#C

Technology Process of 1-Ethynyl-4-dodecyloxybenzene

There total 18 articles about 1-Ethynyl-4-dodecyloxybenzene 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: 98.0%

4-dodecyloxy[(trimethylsilyl)ethynyl]benzene (179925-08-7) → 1-(dodecyloxy)-4-ethynylbenzene (121051-42-1)

Guidance literature:

With potassium fluoride; water; In N,N-dimethyl-formamide; for 3h;

DOI:10.1002/(SICI)1521-3773(19991216)38:24<3748::AID-ANIE3748>3.0.CO;2-0

Reference yield: 96.0%

4-dodecyloxy-β,β-dibromostyrene (569670-20-8) → 1-(dodecyloxy)-4-ethynylbenzene (121051-42-1)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/d0tc04839a

Reference yield: 77.3%

4-(p-dodecyloxyphenyl)-2-methyl-3-butyn-2-ol (125151-61-3) → 1-(dodecyloxy)-4-ethynylbenzene (121051-42-1)

Guidance literature:

With sodium hydroxide; In toluene; for 1h; Heating / reflux;

upstream raw materials:

4-(p-dodecyloxyphenyl)-2-methyl-3-butyn-2-ol

4-dodecyloxy[(trimethylsilyl)ethynyl]benzene

4-dodecyloxy-β,β-dibromostyrene

p-Iodophenol

Downstream raw materials:

4-(4-Dodecyloxy-phenylethynyl)-benzoic acid (S)-2-methyl-butyl ester

<ethynyl>iodonium tosylate

1,4-dibromo-2,5-bis([4-(dodecyloxy)phenyl]ethynyl)benzene

methyl 6'-(4-dodecyloxyphenylethynyl)-2,2'-dihydroxy-1,1'-binaphthalene-3-carboxylate

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