2-METHYL-1-BUTENE

Base Information

• Chemical Name: 2-METHYL-1-BUTENE
• CAS No.: 563-46-2
• Deprecated CAS: 11069-33-3,70266-76-1,77996-59-9
• Molecular Formula: C5H10
• Molecular Weight: 70.1344
• Hs Code.: 29012990
• European Community (EC) Number: 247-975-0,209-250-7
• NSC Number: 72414
• UN Number: 2459,2371
• UNII: 33C9Y0I55H
• DSSTox Substance ID: DTXSID3052224
• Nikkaji Number: J6.506D
• Wikidata: Q27147526,Q83083199
• Mol file: 563-46-2.mol

Synonyms:1-Isoamylene;2-Methyl-1-butene; NSC 72414; g-Isoamylene

Chemical Property of 2-METHYL-1-BUTENE

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 9.98 psi ( 20 °C)
• Melting Point: −137 °C(lit.)
• Refractive Index: n20/D 1.378(lit.)
• Boiling Point: 31 °C(lit.)
• Flash Point: -48 C (closed cup)
• PSA: 0.00000
• Density: 0.65g/mLat 25°C(lit.)
• LogP: 1.97250
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in ether, ethanol and benzene. Insoluble in water.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 70.078250319
• Heavy Atom Count: 5
• Complexity: 35.3
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98.00% ^*data from raw suppliers

2-Methyl-1-butene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Highly flammable, dangerous fire and explosion risk.
• Hazard Codes: F+,Xn,Xi
• Statements: 12-65
• Safety Statements: 16-62-33-29-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCC(=C)C
• Uses: Organic synthesis, pesticide formulations. 2-Methyl-1-butene is used as a solvent in organic synthesis. It is also used in the preparation of pinacolone, flavor enhancer, spice, crop protectants and tertiary amyl phenol. Further, it serves as a photosensitive material and concrete dispersant. In addition to this, it is used as a fuel and fuel additive.

Technology Process of 2-METHYL-1-BUTENE

There total 239 articles about 2-METHYL-1-BUTENE 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: 84.0%

tert-Amyl alcohol (75-85-4) + 1,3-bis(p-nitrophenyl)-2-thia-1,3-diazaallene (15148-19-3) → 2-methyl-but-2-ene (513-35-9) + 2-Methyl-1-butene (563-46-2) + 4-nitro-aniline (100-01-6,104810-17-5) + N-tert-pentyl-p-nitroaniline (174275-05-9)

Guidance literature:

With (t-C₅H₁₁O)3Al; In benzene; at 90 ℃; for 4h; Mechanism; further alcohols and reagents, temp. and time;

Reference yield: 84.0%

tert-Amyl alcohol (75-85-4) + N-sulphinyl-p-nitroaniline (13165-67-8,52866-95-2) → 2-methyl-but-2-ene (513-35-9) + 2-Methyl-1-butene (563-46-2) + 4-nitro-aniline (100-01-6,104810-17-5) + N-tert-pentyl-p-nitroaniline (174275-05-9)

Guidance literature:

at 90 ℃; for 2.5h; Mechanism; further tert. alcohols;

Reference yield: 28.72%

methylbutane (78-78-4) → 2-methyl-but-2-ene (513-35-9) + penta-1,3-diene (504-60-9,17410-45-6,25212-15-1,64940-84-7) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + 2-Methyl-1-butene (563-46-2) + 3-Methyl-1-butene (563-45-1) + pentane (109-66-0,8031-35-4,9078-70-0) + isoprene (78-79-5,9003-31-0)

Guidance literature:

With platinum-aluminum catalyst; at 600 ℃; Gas phase;

DOI:10.1134/S1070427208090218

upstream raw materials:

pyridine

2-bromo-2-methylbutane

α-picoline

picoline

Downstream raw materials:

2,6-dimethyl-4-ethylpyridine

2,6-dimethyllutidine

2-tert-amyl-4-methylphenol

2,2,3-trimethylbut-1-ene

Refernces

• 1、 Imizu et al.. "-". . p. 1091. Retrieved 1978.
• 2、 Bartlett,Porter. "-". . p. 5317. Retrieved 1968.
• 3、 Giacomelli et al.. "-". . p. 4009,4010, 4011. Retrieved 1975.
• 4、 Salnikov, Oleg G.,Burueva, Dudari B.,Kovtunova, Larisa M.,Bukhtiyarov, Valerii I.,Kovtunov, Kirill V.,Koptyug, Igor V.. "Mechanisms of Methylenecyclobutane Hydrogenation over Supported Metal Catalysts Studied by Parahydrogen-Induced Polarization Technique". . . Retrieved 2022/03/15.
• 5、 Wei, Wan-Xu,Li, Yuke,Wen, Ya-Ting,Li, Ming,Li, Xue-Song,Wang, Cui-Tian,Liu, Hong-Chao,Xia, Yu,Zhang, Bo-Sheng,Jiao, Rui-Qiang,Liang, Yong-Min. "Experimental and Computational Studies of Palladium-Catalyzed Spirocyclization via a Narasaka-Heck/C(sp3or sp2)-H Activation Cascade Reaction". supporting information. p. 7868 - 7875. Retrieved 2021/05/27.