(alphaS)-alpha-1-Octyn-1-ylbenzenepropanol

Base Information

Chemical Name:(alphaS)-alpha-1-Octyn-1-ylbenzenepropanol
CAS No.:833454-99-2
Molecular Formula:C₁₇H₂₄O
Molecular Weight:244.377
Hs Code.:
DSSTox Substance ID:DTXSID701296110
Nikkaji Number:J2.877.092H

Synonyms:DTXSID701296110;833454-99-2;(s)-(+)-1-phenylundec-4-yn-3-ol;(alphaS)-alpha-1-Octyn-1-ylbenzenepropanol

Suppliers and Price of (alphaS)-alpha-1-Octyn-1-ylbenzenepropanol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (alphaS)-alpha-1-Octyn-1-ylbenzenepropanol

Chemical Property:

XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:244.182715385
Heavy Atom Count:18
Complexity:251

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCC#CC(CCC1=CC=CC=C1)O
Isomeric SMILES:CCCCCCC#C[C@H](CCC1=CC=CC=C1)O

Technology Process of (alphaS)-alpha-1-Octyn-1-ylbenzenepropanol

There total 2 articles about (alphaS)-alpha-1-Octyn-1-ylbenzenepropanol 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: 93.0%

: (S)-[η6-(3-hydroxyundec-4-yn-1-yl)benzene]tricarbonylchromium

: 833454-99-2
(S)-(+)-3-acetoxy-1-phenylundec-4-yne

Guidance literature:: With iodine; In tetrahydrofuran; at 20 ℃;
DOI:10.1007/s11172-013-0294-8

Reference yield:

: 104-53-0
3-phenyl-propionaldehyde

: 629-05-0
n-octyne

: 833454-99-2
(S)-(+)-3-acetoxy-1-phenylundec-4-yne

: (R)-(-)-1-phenylundec-4-yn-3-ol

Guidance literature:: n-octyne; With diethylzinc; (S)-[1,1']-binaphthalenyl-2,2'-diol; N-cyclohexyl-cyclohexanamine; In diethyl ether; at 20 ℃; for 24h; Inert atmosphere;

With titanium(IV)isopropoxide; In diethyl ether; at 20 ℃; for 2h; Inert atmosphere;

3-phenyl-propionaldehyde; In diethyl ether; at 20 ℃; for 24h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1016/j.tetlet.2010.07.082

Reference yield: 77.0%

: 833454-99-2
(S)-(+)-3-acetoxy-1-phenylundec-4-yne

: 264195-02-0
(R)-(-)-1-phenylundecan-3-ol

Guidance literature:: With sodium tetrahydroborate; nickel(II) chloride hexahydrate; In methanol; at -20 - 20 ℃; for 1.33333h;
DOI:10.1007/s11172-013-0294-8