Cas no 926-56-7 (1,3-Pentadiene,4-methyl-)

1,3-Pentadiene,4-methyl- structure
1,3-Pentadiene,4-methyl- structure
Product Name:1,3-Pentadiene,4-methyl-
CAS No:926-56-7
MF:C6H10
MW:82.1436018943787
CID:808872
Update Time:2023-10-12

1,3-Pentadiene,4-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Pentadiene,4-methyl-
    • 4-METHYL-1,3-PENTADIENE
    • 1,1-Dimethyl-1,3-butadiene
    • 1,3-pentadiene,4-methyl
    • 2-methyl-2,4-pentadiene
    • 2-methylpenta-2,4-diene
    • 4-methyl-3-pentadiene
    • 4-Methylpenta-1,3-diene
    • dimethyl-butadiene
    • 4-Methyl-1,3-pentadiene (ACI)
    • 1,1-Dimethylbutadiene
    • Inchi: 1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3
    • InChI Key: CJSBUWDGPXGFGA-UHFFFAOYSA-N
    • SMILES: C=C/C=C(\C)/C

Computed Properties

  • Exact Mass: 82.07830
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 64.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 0.718?g/mL?at 20?°C(lit.)
  • Melting Point: -94.9°C (estimate)
  • Boiling Point: 75-77?°C
  • Flash Point: -18?°C
  • Refractive Index: n20/D 1.452
  • PSA: 0.00000
  • LogP: 2.13860
  • Solubility: Not easy to water

1,3-Pentadiene,4-methyl- Security Information

  • Hazardous Material transportation number:UN 2461 3/PG 2
  • WGK Germany:3
  • Hazard Category Code: 11-65
  • Safety Instruction: S16; S36; S62
  • Hazardous Material Identification: F Xn
  • HazardClass:3.1
  • PackingGroup:II
  • Safety Term:3.1
  • Packing Group:II
  • Risk Phrases:R11; R65

1,3-Pentadiene,4-methyl- Customs Data

  • HS CODE:29339990
  • Customs Data:

    China Customs Code:

    2901299090

    Overview:

    2901299090 Other unsaturated acyclic hydrocarbons.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The volume of packaging container used as gaseous fuel shall be reported, Bulk cargo shall be reported

    Summary:

    2901299090 unsaturated acyclic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

1,3-Pentadiene,4-methyl- Pricemore >>

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1,3-Pentadiene,4-methyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
Reference
Synthetic applications of phosphoryl-stabilized anions
Wadsworth, William S. Jr., Organic Reactions (Hoboken, 1977, 25,

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Diethyl ether ,  Toluene ;  2 h, rt
1.2 15 min, rt; overnight, rt
Reference
Z-Selective Metathesis Homocoupling of 1,3-Dienes by Molybdenum and Tungsten Monoaryloxide Pyrrolide (MAP) Complexes
Townsend, Erik M.; Schrock, Richard R.; Hoveyda, Amir H., Journal of the American Chemical Society, 2012, 134(28), 11334-11337

Production Method 3

Reaction Conditions
1.1 Reagents: Zinc chloride
Reference
Reaction gas chromatography on zinc. II. Carbonyl compounds
Cap, Lubomir; Tayebe, Marghiche, Acta Universitatis Palackianae Olomucensis, 1984, 79, 95-100

Production Method 4

Reaction Conditions
Reference
Equilibrium of isomerization of 2-methylpentadienes
Petrova-Kuminskaya, S. V.; Roganov, G. N.; Kabo, G. Ya., Neftekhimiya, 1984, 24(4), 485-90

Production Method 5

Reaction Conditions
1.1 Catalysts: Methyldiphenylphosphine
Reference
Preparation of carbonyl compounds from allylic alcohols catalyzed by cationic iridium complexes
Baudry, Denise; Ephritikhine, Michel; Felkin, Hugh, Nouveau Journal de Chimie, 1978, 2(4), 355-6

Production Method 6

Reaction Conditions
Reference
Density functional theory and ab initio study on the reaction mechanisms of the homogeneous, unimolecular elimination kinetics of selected 1-chloroalkenes in the gas phase
Mora, Jose R.; Lezama, Jesus; Berroteran, Neydher; Cordova, Tania; Chuchani, Gabriel, International Journal of Quantum Chemistry, 2012, 112(24), 3729-3738

Production Method 7

Reaction Conditions
Reference
Vinylidenes As Intermediates in Thermal Cyclopropene-to-Acetylene Rearrangements
Likhotvorik, Igor R.; Brown, Duncan W.; Jones, Maitland Jr., Journal of the American Chemical Society, 1994, 116(14), 6175-8

Production Method 8

Reaction Conditions
Reference
Method of producing a mixture of 2-methyl- and 4-methyl-1,3-pentadienes
, USSR, , ,

Production Method 9

Reaction Conditions
Reference
Dehydration of β,γ-unsaturated alcohols in ethyl sulfoxide
Bellamy, Anthony J.; Cooper, Robert S.; Crilly, William; Meldrum, Donald R. B.; Truslove, Neil J., Journal of the Chemical Society, 1978, (12), 1309-12

Production Method 10

Reaction Conditions
Reference
Preparation of methylpentadiene by the dehydrogenation of isohexenes
Kryukov, S. I.; Kut'in, A. M.; Vernova, T. P.; Eratova, V. L., Zhurnal Prikladnoi Khimii (Sankt-Peterburg, 1969, 42(7), 1623-7

Production Method 11

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Catalysts: Platinum Solvents: Toluene ;  15 h, reflux
Reference
Direct Olefination of Alcohols with Sulfones by Using Heterogeneous Platinum Catalysts
Siddiki, S. M. A. Hakim; Touchy, Abeda Sultana; Kon, Kenichi; Shimizu, Ken-ichi, Chemistry - A European Journal, 2016, 22(17), 6111-6119

Production Method 12

Reaction Conditions
1.1 Solvents: Dichloromethane-d2 ;  12 h, rt
Reference
Carbon-Carbon Bond Formation by Cumulene Insertion into "Rh(μ-CH2)M" Moieties (M = Ru, Os): Roles of the Cumulenes and the Metals in Product Formation
Chokshi, Amala; Rowsell, Bryan D.; Trepanier, Steven J.; Ferguson, Michael J.; Cowie, Martin, Organometallics, 2004, 23(20), 4759-4770

Production Method 13

Reaction Conditions
Reference
Catalytic hydromagnesation of di- and polymethyl-substituted 1,3-butadienes
Viktorov, N. B.; Zubritskii, L. M., Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii), 1999, 35(12), 1755-1765

Production Method 14

Reaction Conditions
Reference
Computational and ultraviolet photoelectron spectroscopic evidence that (Z)-2-methyl-1,3-pentadiene prefers twisted s-cis conformers in the gas phase
Werstiuk, Nick Henry; Timmins, George; Ma, Jiangong; Wildman, Timothy A., Canadian Journal of Chemistry, 1992, 70(7), 1971-7

Production Method 15

Reaction Conditions
Reference
Methylpentadiene
, Japan, , ,

Production Method 16

Reaction Conditions
Reference
Study of catalytic reactions of tetrahydro-β-furylmethanols on alumina
Infarnet, Yves; Accary, Armand; Huet, Jean, Bulletin de la Societe Chimique de France, 1980, 261, 261-6

Production Method 17

Reaction Conditions
Reference
Diene compounds
, Japan, , ,

Production Method 18

Reaction Conditions
Reference
Photochemical transformation of 3-methyl-4-caren-2-one into derivatives of 3,3,7-trimethyl-4,6-octadienoic acid. Revised stereochemical assignments
Bellamy, A. J.; Crilly, W., Journal of the Chemical Society, 1972, (4), 395-9

Production Method 19

Reaction Conditions
Reference
Synthesis and reactions of yomogi alcohol. Conversion of the artemisyl skeleton to the santolinyl skeleton by a 1,2-shift of a vinyl group. Synthesis of santolinatriene
Thomas, Alan F.; Pawlak, Waltraud, Helvetica Chimica Acta, 1971, 54(7), 1822-45

Production Method 20

Reaction Conditions
Reference
Syntheses based on the liquid-phase oxidation of 2-methyl-2-pentene
Mantyukov, G. D.; Kryukov, S. I.; Belorossov, E. L.; Farberov, M. I., Uchenye Zapiski Yaroslavskogo Tekhnologicheskogo Instituta, 1969, 11, 193-9

1,3-Pentadiene,4-methyl- Raw materials

1,3-Pentadiene,4-methyl- Preparation Products

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