1-Methyl-4-propylbenzene

Base Information

• Chemical Name: 1-Methyl-4-propylbenzene
• CAS No.: 1074-55-1
• Molecular Formula: C10H14
• Molecular Weight: 134.221
• Hs Code.: 2902909090
• European Community (EC) Number: 214-044-5
• NSC Number: 73973
• UNII: 37KHA4S4F0
• DSSTox Substance ID: DTXSID8061470
• Nikkaji Number: J91.293J
• Wikidata: Q27256684
• Mol file: 1074-55-1.mol

Synonyms:1-METHYL-4-PROPYLBENZENE;p-Propyltoluene;1074-55-1;4-n-Propyltoluene;4-Propyltoluene;Toluene, p-propyl-;Benzene, 1-methyl-4-propyl-;1-Methyl-4-n-propylbenzene;UNII-37KHA4S4F0;37KHA4S4F0;4-METHYL-1-PROPYLBENZENE;EINECS 214-044-5;NSC 73973;NSC-73973;p-n-Propyl toluene;1-propyl-4-methylbenzene;4-Propyl-1-methylbenzene;P-METHYLPROPYLBENZENE;1-Methyl-4-n-propyl benzene;DTXSID8061470;BAA07455;NSC73973;MFCD00048698;AKOS016846128;BS-22715;FT-0693871;P0749;D92007;Q27256684

Chemical Property of 1-Methyl-4-propylbenzene

Chemical Property:

• Vapor Pressure: 1.01mmHg at 25°C
• Melting Point: -63.6°C
• Refractive Index: 1.4900 to 1.4930
• Boiling Point: 184.2°Cat760mmHg
• Flash Point: 56.3°C
• PSA: 0.00000
• Density: 0.865g/cm³
• LogP: 2.94750
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 78

Purity/Quality:

99% ^*data from raw suppliers

4-Propyltoluene >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)C

Technology Process of 1-Methyl-4-propylbenzene

There total 44 articles about 1-Methyl-4-propylbenzene 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: 79.0%

p-allyltoluene (3333-13-9) → (Z)-1-(4-tolyl)-1-propene (2077-29-4) + (E)-1-methyl-4-(prop-1-enyl)benzene (2077-30-7) + p-n-propyltoluene (1074-55-1)

Guidance literature:

With iron(III) chloride; lithium aluminium tetrahydride; hydrogen; In tetrahydrofuran; at 18 ℃; for 18h; under 750.075 Torr; Inert atmosphere; Sealed tube;

DOI:10.1039/c4gc02368d

Reference yield: 78.0%

4'-methylpropiophenone (5337-93-9) → p-n-propyltoluene (1074-55-1)

Guidance literature:

With triethylsilane; indium(III) bromide; In chloroform; at 60 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.04.029

Reference yield:

propane (74-98-6) + toluene (108-88-3,15644-74-3,16713-13-6) → m-cymene (535-77-3) + 1-Methyl-3-propylbenzene (1074-43-7) + 1-Methyl-2-propylbenzene (1074-17-5) + p-n-propyltoluene (1074-55-1)

Guidance literature:

With ammonium hydroxide; In gaseous matrix; at 25 ℃; for 8760h; under 744 Torr; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1039/P29880001393

upstream raw materials:

ethene

para-xylene

4-methylisopropylbenzene

4'-methylpropiophenone

Downstream raw materials:

1-(2-methyl-5-propylphenyl)-1-ethanone

4'-methylpropiophenone

4-n-propylbenzaldehyde

ethyl 4-formylphenyl ketone

Refernces

• 1、 Oestreich, Martin,Richter, Sven C.. "Chemoselective Deoxygenation of 2° Benzylic Alcohols through a Sequence of Formylation and B(C6F5)3-Catalyzed Reduction". . p. 2103 - 2106. Retrieved 2021/07/22.
• 2、 Tao, Lei,Yan, Tian-Hao,Li, Wenqin,Zhao, Yi,Zhang, Qi,Liu, Yong-Mei,Wright, Mark M.,Li, Zhen-Hua,He, He-Yong,Cao, Yong. "Toward an Integrated Conversion of 5-Hydroxymethylfurfural and Ethylene for the Production of Renewable p-Xylene". supporting information. p. 2212 - 2227. Retrieved 2018/10/02.