3,3-Dimethyl-1-butene

Base Information

• Chemical Name: 3,3-Dimethyl-1-butene
• CAS No.: 558-37-2
• Deprecated CAS: 11069-54-8
• Molecular Formula: C6H12
• Molecular Weight: 84.1613
• Hs Code.: 29012980
• European Community (EC) Number: 209-195-9
• NSC Number: 74119
• UNII: 01ZB73D2KK
• DSSTox Substance ID: DTXSID1027211
• Nikkaji Number: J38.822J
• Wikipedia: Neohexene
• Wikidata: Q2129015
• ChEMBL ID: CHEMBL3183368
• Mol file: 558-37-2.mol

Synonyms:3,3-DIMETHYL-1-BUTENE;558-37-2;Neohexene;3,3-Dimethylbut-1-ene;1-Butene, 3,3-dimethyl-;tert-Butylethylene;tert-Butylethene;tert-Hexene;Trimethylvinylmethane;3,3-Dimethylbutene;2,2-Dimethyl-3-butene;NSC 74119;UNII-01ZB73D2KK;01ZB73D2KK;DTXSID1027211;3,3-Dimethyl-1-butene;EINECS 209-195-9;NSC-74119;DTXCID807211;CAS-558-37-2;NSC74119;3,3-Dimethy-1-butene;(CH3)3CCH=CH2;CHEMBL3183368;Tox21_202256;Tox21_303243;MFCD00008853;AKOS009156819;NCGC00249198-01;NCGC00256997-01;NCGC00259805-01;3,3-Dimethyl-1-butene, >=97% (GC);D1163;3,3-Dimethyl-1-butene, >=98.5% (GC);EN300-36330;D89799;A830835;Q2129015

Chemical Property of 3,3-Dimethyl-1-butene

Chemical Property:

• Appearance/Colour: Clear, colorless liquid
• Vapor Pressure: 6.96 psi ( 20 °C)
• Melting Point: -115 ºC
• Refractive Index: n20/D 1.376(lit.)
• Boiling Point: 41 ºC
• Flash Point: -28 ºC
• PSA: 0.00000
• Density: 0.653
• LogP: 2.21850
• Storage Temp.: Flammables area
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 84.093900383
• Heavy Atom Count: 6
• Complexity: 45.5

Purity/Quality:

99% ^*data from raw suppliers

3,3-Dimethyl-1-butene >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn,Xi
• Statements: 11-36/37/38-65
• Safety Statements: 16-26-33-36-62-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3,3-Dimethyl-1-butene

There total 149 articles about 3,3-Dimethyl-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: 88.0%

3,3-Dimethylbut-1-yne (917-92-0) → tert-butylethylene (558-37-2)

Guidance literature:

With quinoline; hydrogen; Pd-BaSO₄; In toluene; at 20 ℃; under 760 Torr;

Reference yield: 12.0%

3-((1S,2S)-2-tert-Butyl-cyclopropyl)-3H-diazirine → tert-butylethylene (558-37-2) + 3-tert-butylcyclobutene + (1'R,2'R)-2'-tert-Butyl-2,2,3,3-tetramethyl-bicyclopropyl

Guidance literature:

With 2,3-Dimethyl-2-butene; In 1,1,2-Trichloro-1,2,2-trifluoroethane; at 100 ℃;

DOI:10.1021/ja980252o

Reference yield:

ethanol (64-17-5) + 1-(dimethylphenylsilyl)-3,3-dimethyl-2-butyl trifluoroacetate (1252913-80-6) → tert-butylethylene (558-37-2) + dimethyl(ethoxy)phenylsilane (1825-58-7) + (E)-(3,3-dimethylbut-1-en-1-yl)dimethylphenylsilane (97779-83-4)

Guidance literature:

In water; at 75 ℃; Temperature; Solvent; Kinetics; Solvolysis;

DOI:10.1002/poc.1667

upstream raw materials:

ethanol

C₁₅H₂₂ClF₃Si

C₁₄H₂₁Cl₃Si

phthalic anhydride

Downstream raw materials:

1,2-dibromo-3,3-dimethylbutane

2-bromo-1-methoxy-3,3-dimethyl-butane

3,3-dimethyl-1-(2,4-dinitrophenylthio)-2-chlorobutane

N-(2,2-Dimethyl-1-phenylsulfanylmethyl-propyl)-acetamide

Refernces

• 1、 Ott, Kevin C.,Lee, J. Bosco,Grubbs, Robert H.. "". . p. 2942 - 2944. Retrieved 1982.
• 2、 Castiglioni, Mario,Giordano, Roberto,Sappa, Enrico. "". . p. 399 - 410. Retrieved 1989.
• 3、 F?hrmann, Jan,Hermann, Ludmila,Hilt, Gerhard. "The Application of 1,2-Oxazinanes as Chiral Cyclic Weinreb Amide-Type Auxiliaries Leading to a Three-Component, One-Pot Reaction". . . Retrieved 2021/12/17.
• 4、 Puerta-Oteo, Raquel,Munarriz, Julen,Polo, Víctor,Jiménez, M. Victoria,Pérez-Torrente, Jesús J.. "Carboxylate-Assisted β-(Z) Stereoselective Hydrosilylation of Terminal Alkynes Catalyzed by a Zwitterionic Bis-NHC Rhodium(III) Complex". . p. 7367 - 7380. Retrieved 2020/07/21.