4,4-Dimethyl-1-pentene

Base Information

• Chemical Name: 4,4-Dimethyl-1-pentene
• CAS No.: 762-62-9
• Molecular Formula: C7H14
• Molecular Weight: 98.1882
• Hs Code.: 29012900
• European Community (EC) Number: 212-101-9
• NSC Number: 73923
• DSSTox Substance ID: DTXSID6073235
• Nikkaji Number: J100.666E
• Wikidata: Q82001607
• Mol file: 762-62-9.mol

Synonyms:4,4-DIMETHYL-1-PENTENE;762-62-9;4,4-Dimethylpent-1-ene;1-Pentene, 4,4-dimethyl-;2,2-Dimethyl-4-pentene;Neoheptaene;4,4-Dimethyl pent-1-ene;62851-51-8;EINECS 212-101-9;NSC 73923;4,4-dimethyl-pent-1-ene;NSC73923;(CH3)3CCH2CH=CH2;DTXSID6073235;4,4-Dimethyl-1-pentene, 99%;4,4'-DIMETHYL-1-PENTENE;GEO-03802;MFCD00026337;NSC-73923;AKOS009159100;D1252;FT-0617077;EN300-740152;T71314

Chemical Property of 4,4-Dimethyl-1-pentene

Chemical Property:

• Vapor Pressure: 231 mm Hg ( 37.7 °C)
• Melting Point: -136.6°C
• Refractive Index: n20/D 1.392(lit.)
• Boiling Point: 72 °C(lit.)
• Flash Point: 10 °F
• PSA: 0.00000
• Density: 0.683 g/mL at 25 °C(lit.)
• LogP: 2.60860
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 98.109550447
• Heavy Atom Count: 7
• Complexity: 54.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4-Dimethyl-1-pentene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-65
• Safety Statements: 16-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CC(C)(C)CC=C

Technology Process of 4,4-Dimethyl-1-pentene

There total 58 articles about 4,4-Dimethyl-1-pentene 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: 0.34%

2,2-dimethylpentane (590-35-2) → 3,3-dimethylpentane (562-49-2) + 2-Methylhexane (591-76-4) + (E)-4,4-dimethyl-2-pentene (690-08-4) + 4,4-dimethylpent-1-ene (762-62-9) + 1,1-Dimethylcyclopentane (1638-26-2)

Guidance literature:

platinum; at 329.9 ℃; for 0.0833333h; under 121.7 Torr; Product distribution; Mechanism; hydrogenolysis;

DOI:10.1039/f19827803573

Reference yield:

Isobutane (75-28-5,40921-86-6) → 2,4-dimethylpentane (108-08-7) + tetramethyl-2,2,3,3 butane (594-82-1) + 2,2,4-trimethylpentane (540-84-1) + 2,5-dimethylhexane (592-13-2) + triptane (464-06-2) + 4,4-dimethylpent-1-ene (762-62-9)

Guidance literature:

at -78.1 ℃; Product distribution; Irradiation; gamma radiolysis at different irradiation doses, liquid and solid state;

Reference yield:

1-allyloxy-2-iodobenzene (24892-63-5) → 4,4-dimethylpent-1-ene (762-62-9) + allyl phenyl ether (1746-13-0)

Guidance literature:

With methanol; N,N,N,N,-tetramethylethylenediamine; tert.-butyl lithium; Yield given. Multistep reaction. Yields of byproduct given; 1.) pentane, Et₂O, -98 deg C; 2.) pentane, Et₂O, -78 deg C, 0.1 h;

DOI:10.1016/0040-4039(96)01142-2

upstream raw materials:

1,2-dichloro-4,4-dimethylpentane

4-bromo-2,2-dimethyl-pentane

4.4-Dimethyl-2-pentanol

1,2-dibromo-4,4-dimethyl-pentane

Downstream raw materials:

1-bromo-4,4-dimethylpentane

2,2-dimethylpentane

1,2-dibromo-4,4-dimethyl-pentane

3,3-dimethylbutyrylaldehyde

Refernces

• 1、 Lai, Yin-Long,Huang, Jing-Mei. "Palladium-Catalyzed Electrochemical Allylic Alkylation between Alkyl and Allylic Halides in Aqueous Solution". supporting information. p. 2022 - 2025. Retrieved 2017/04/28.
• 2、 Wu, Yuh-Wern,Huang, Hsu-Ting,Huang, Zhau-Jie,Huang, Huang-Ming,Yang, Jyh-Ferng. "The solvent effect on the reaction constants of tert-butyl radical addition to 2-substituted allyl chlorides". . p. 4461 - 4466. Retrieved 2007/10/03.