Benzenemethanol, alpha-butyl-, (alphas)-

Base Information

• Chemical Name: Benzenemethanol, alpha-butyl-, (alphas)-
• CAS No.: 33652-83-4
• Molecular Formula: C11H16 O
• Molecular Weight: 164.247
• Hs Code.: 2906299090
• UNII: O1GKM42V1D
• DSSTox Substance ID: DTXSID10187336
• Nikkaji Number: J63.376C
• Wikidata: Q27285205
• ChEMBL ID: CHEMBL150956
• Mol file: 33652-83-4.mol

Synonyms:(1S)-1-phenylpentan-1-ol;33652-83-4;Benzenemethanol, alpha-butyl-, (alphas)-;S-(-)-1-Phenylpentan-1-ol;(-)-1-Phenylpentan-1-ol;alpha-Butylbenzyl alcohol, (-)-;UNII-O1GKM42V1D;O1GKM42V1D;(-)-alpha-Butylbenzyl alcohol;(S)-alpha-Butylbenzenemethanol;(alphaS)-alpha-Butylbenzenemethanol;Benzenemethanol, alpha-butyl-, (S)-;Benzyl alcohol, alpha-butyl-, (S)-(-)-;(S)-fenipentol;NCGC00181036-01;FENIPENTOL, (S)-;(1S)-1-Phenyl-1-pentanol;CHEMBL150956;SCHEMBL11573151;DTXSID10187336;(s)-(-)-1-phenyl-pentan-1-ol;MFCD16621863;AKOS012669923;(S)-1-Phenyl-1-pentanol, ee 91%;(-)-.ALPHA.-BUTYLBENZYL ALCOHOL;(S)-.ALPHA.-BUTYLBENZENEMETHANOL;.ALPHA.-BUTYLBENZYL ALCOHOL, (-)-;CS-0232733;BENZENEMETHANOL, .ALPHA.-BUTYL-, (S)-;D89432;EN300-128381;(.ALPHA.S)-.ALPHA.-BUTYLBENZENEMETHANOL;BENZENEMETHANOL, .ALPHA.-BUTYL-, (.ALPHA.S)-;BENZYL ALCOHOL, .ALPHA.-BUTYL-, (S)-(-)-;Q27285205;Z1127664374

Chemical Property of Benzenemethanol, alpha-butyl-, (alphas)-

Chemical Property:

• PSA: 20.23000
• LogP: 2.91020
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

(1S)-1-phenylpentan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C1=CC=CC=C1)O
• Isomeric SMILES: CCCC[C@@H](C1=CC=CC=C1)O

Technology Process of Benzenemethanol, alpha-butyl-, (alphas)-

There total 72 articles about Benzenemethanol, alpha-butyl-, (alphas)- 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: 99.0%

phenyl butyl ketone (1009-14-9) → (S)-(-)-1-phenylpentanol (33652-83-4)

Guidance literature:

With silver tetrafluoroborate; diethoxymethylane; C₂₆H₂₉N₃O₂*Cl^(1-)*Ir⁽¹⁺⁾*C₈H₁₂; at 20 ℃; for 20h; stereoselective reaction;

DOI:10.1016/j.molcata.2016.05.020

Reference yield: 98.0%

n-Butyl chloride (109-69-3) + benzaldehyde (100-52-7) → (S)-(-)-1-phenylpentanol (33652-83-4)

Guidance literature:

n-Butyl chloride; With magnesium; lithium chloride; In diethyl ether; at 35 ℃; for 12h;

With sodium methylate; zinc(II) chloride; In diethyl ether; at 0 ℃; Inert atmosphere;

benzaldehyde; With (S)-N-(3-methyl-1-(1-pyrrolidin-1-yl)butan-2-yl)-P,P-di(naphthalen-1-yl)phosphinic amideamine; at 20 ℃; for 2h; optical yield given as %ee; Neat (no solvent);

DOI:10.1055/s-0030-1258129

Reference yield: 95.0%

phenyl butyl ketone (1009-14-9) → (S)-(-)-1-phenylpentanol (33652-83-4) + (R)-1-phenylpentan-1-ol (19641-53-3)

Guidance literature:

With C₄₆H₅₀CoN₂O₄; In tetrahydrofuran; methanol; at -20 ℃; for 5h; Reagent/catalyst; Time;

DOI:10.1246/bcsj.20130085

upstream raw materials:

n-butyllithium

benzaldehyde

phenyl butyl ketone

1-Phenyl-1-pentanol

Downstream raw materials:

(S)-1-phenylpentyl acetate

(R,R)-1,3-dimethyl-2-[(1S)-phenyl-pentyloxy]-octahydro-benzo[1,3,2]diazaphosphole

(R,R)-1,3-dimethyl-2-[(1S)-phenyl-pentyloxy]-octahydro-benzo[1,3,2]diazaphosphole-2-sulfide