[(2S)-2-methylbutyl]benzene

Base Information

• Chemical Name: [(2S)-2-methylbutyl]benzene
• CAS No.: 40560-30-3
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID90885808
• Nikkaji Number: J63.276G
• Wikidata: Q72488980
• Mol file: 40560-30-3.mol

Synonyms:DTXSID90885808

Chemical Property of [(2S)-2-methylbutyl]benzene

Chemical Property:

• Vapor Pressure: 0.538mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 197.3oCat760mmHg
• Flash Point: 64oC
• PSA: 0.00000
• Density: 0.861g/cm³
• LogP: 3.27520
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 148.125200510
• Heavy Atom Count: 11
• Complexity: 90.2

Purity/Quality:

99%min ^*data from raw suppliers

(S)-(+)-(2-METHYLBUTYL)BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CC1=CC=CC=C1
• Isomeric SMILES: CC[C@H](C)CC1=CC=CC=C1

Technology Process of [(2S)-2-methylbutyl]benzene

There total 11 articles about [(2S)-2-methylbutyl]benzene 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:

(S)-2-methylbutyl bromide (534-00-9) → (3S,6S)-3,6-dimethyloctane (1730-95-6) + (S)-(+)-2-Methyl-1-phenylbutan (40560-30-3)

Guidance literature:

With phenyl sodium; at 0 ℃; Erwaermen des Reaktionsgemisches auf Raumtemperatur;

DOI:10.1359/jbmr.2002.17.9.1613

Reference yield:

bromobenzene (108-86-1,52753-63-6) + C20H31B → (R)-(-)-2-methyl-1-phenylbutane (1042678-88-5) + (S)-(+)-2-Methyl-1-phenylbutan (40560-30-3)

Guidance literature:

With sodium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; water; for 12h; optical yield given as %ee; Reflux;

DOI:10.1021/ja803119p

Reference yield:

→ (S)-(+)-2-Methyl-1-phenylbutan (40560-30-3)

Guidance literature:

With hydrogen iodide; at 70 ℃;

upstream raw materials:

(S)-2-methylbutyl bromide

phenyl sodium

(S)-2-methyl-1-phenylbutan-1-one

(S)-2-methylbutyl chloride

Downstream raw materials:

(+)(S)-(2-methyl-butyl)-cyclohexane

(S)-(+)-1-(2-Methylbutyl)-4-nitrobenzol

(S)-(+)-1-(2-Methylbutyl)-2-nitrobenzol

trans-(S,S)-(-)-2,2'-Bis(2-methylbutyl)azobenzol