(S)-sec-butylbenzene

Base Information

• Chemical Name: (S)-sec-butylbenzene
• CAS No.: 5787-28-0
• Molecular Formula: C10H14
• Molecular Weight: 134.221
• UNII: RNF7TIY68N
• Nikkaji Number: J9.558C
• Wikidata: Q27118097
• Metabolomics Workbench ID: 56121
• Mol file: 5787-28-0.mol

Synonyms:(S)-sec-butylbenzene;sec-Butylbenzene, (+)-;(S)-2-Phenylbutane;(+)-sec-butylbenzene;UNII-RNF7TIY68N;RNF7TIY68N;Benzene, (1-methylpropyl)-, (S)-;(S)-(+)-2-phenylbutane;(S)-(1-methylpropyl)-benzene;[(1S)-1-methylpropyl]benzene;5787-28-0;(r)-2-phenyl-butane;(s)-2-phenyl-butane;D-SEC-BUTYLBENZENE;[(2S)-butan-2-yl]benzene;(+)-2-PHENYLBUTANE;BIDD:ER0358;SEC-BUTYLBENZENE D-FORM;CHEBI:39014;Benzene, sec-butyl-, (S)-()-;(+)-(S)-2-PHENYLBUTANE;(S)-(+)-SEC-BUTYLBENZENE;SEC-BUTYLBENZENE D-FORM [MI];BENZENE, ((1S)-1-METHYLPROPYL)-;BENZENE, SEC-BUTYL-, (S)-(+)-;A807010;Q27118097

Chemical Property of (S)-sec-butylbenzene

Chemical Property:

• Melting Point: -51.83°C (estimate)
• Refractive Index: 1.4992 (estimate)
• Boiling Point: 173.3°Cat760mmHg
• Flash Point: 46.3°C
• PSA: 0.00000
• Density: 0.86g/cm³
• LogP: 3.20010
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 80

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-sec-butylbenzene

There total 85 articles about (S)-sec-butylbenzene 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:

C13H22OSi → 1-ethylstyrene (2039-93-2) + (S)-2-phenyl-1-butane (5787-28-0)

Guidance literature:

With C₃₂H₁₂BF₂₄^(1-)*C₄₈H₄₀IrNO₅P⁽¹⁺⁾; hydrogen; In toluene; at 20 ℃; for 1h; under 750.075 Torr; enantioselective reaction;

DOI:10.1039/c8sc05261a

Reference yield:

1-ethylstyrene (2039-93-2) → sec-Butylbenzene (135-98-8,36383-15-0) + (Z)-2-phenylbut-2-ene (767-99-7) + (2R)-sec-butylbenzene (135-98-8,5787-28-0,36383-15-0,5787-29-1) + (S)-2-phenyl-1-butane (5787-28-0)

Guidance literature:

With (Z)-2-phenylbut-2-ene; hydrogen; Co(acac)2-PPh₃-AlEt₃; In toluene; at 80 ℃; under 45600 Torr; Product distribution; Rate constant; also in the presence of styrene; other catalyst, pressure, temperature;

DOI:10.1007/BF00952387

Reference yield:

1-ethylstyrene (2039-93-2) → sec-Butylbenzene (135-98-8,36383-15-0) + (Z)-2-phenylbut-2-ene (767-99-7) + (2R)-sec-butylbenzene (135-98-8,5787-28-0,36383-15-0,5787-29-1) + (S)-2-phenyl-1-butane (5787-28-0)

Guidance literature:

With (Z)-2-phenylbut-2-ene; hydrogen; Co(acac)2-PPh₃-AlEt₃; In toluene; at 80 ℃; under 45600 Torr; Product distribution; Rate constant; also in the presence of styrene; other catalyst, pressure, temperature;

DOI:10.1007/BF00952387

upstream raw materials:

(3S,4R)-3,4-dimethyl-4-phenyl-hexan-3-ol

potassium tert-butylate

ethylene glycol

tert-butyl alcohol

Downstream raw materials:

(R)-(-)-2-cyclohexylbutane

sec-Butylbenzene

meso-3,4-dimethyl-3,4-diphenyl-hexane

D,L-3,4-Dimethyl-3,4-diphenylhexan