4,6-Heptadiyn-2-ol, 7-phenyl-, (2R)-

Base Information

• Chemical Name: 4,6-Heptadiyn-2-ol, 7-phenyl-, (2R)-
• CAS No.: 501086-15-3
• Molecular Formula: C13H12O
• Molecular Weight: 184.23400
• DSSTox Substance ID: DTXSID30435866
• Nikkaji Number: J2.578.531B
• Wikidata: Q82250983
• Mol file: 501086-15-3.mol

Synonyms:501086-15-3;4,6-Heptadiyn-2-ol, 7-phenyl-, (2R)-;(2R)-7-phenylhepta-4,6-diyn-2-ol;SCHEMBL7156967;DTXSID30435866;(R)-7-Phenyl-4,6-heptadiyne-2-ol;AKOS040762952

Chemical Property of 4,6-Heptadiyn-2-ol, 7-phenyl-, (2R)-

Chemical Property:

• Boiling Point: 332.0±34.0 °C(Predicted)
• PKA: 14.18±0.20(Predicted)
• PSA: 20.23000
• Density: 1.08±0.1 g/cm3(Predicted)
• LogP: 1.81240
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 184.088815002
• Heavy Atom Count: 14
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,6-Heptadiyn-2-ol, 7-phenyl-, (2R)-

There total 3 articles about 4,6-Heptadiyn-2-ol, 7-phenyl-, (2R)- 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: 35.0%

(1,1-dibromobut-1-en-3-yn-2-yl)benzene (879560-02-8) + (S)-Propylene oxide (16088-62-3) → (S)-7-Phenyl-hepta-4,6-diyn-2-ol (501086-15-3)

Guidance literature:

(1,1-dibromobut-1-en-3-yn-2-yl)benzene; With n-butyllithium; In hexane; toluene; at -20 - 0 ℃;

(S)-Propylene oxide; In diethyl ether; hexane; toluene; at -20 - 20 ℃;

DOI:10.1021/ol0528888

Reference yield: 20.0%

(1,1-dibromobut-1-en-3-yn-2-yl)benzene (879560-02-8) + (R)-propylene oxide (15448-47-2) → C13H12O (501086-15-3)

Guidance literature:

(1,1-dibromobut-1-en-3-yn-2-yl)benzene; With n-butyllithium; In hexane; toluene; at -20 - 0 ℃;

(R)-propylene oxide; In various solvents; at -20 - 20 ℃; Further stages.;

DOI:10.1021/jo701810g

Reference yield:

(1,1-dibromobut-1-en-3-yn-2-yl)benzene (879560-02-8) + (S)-Propylene oxide (16088-62-3) → (S)-7-Phenyl-hepta-4,6-diyn-2-ol (501086-15-3) + C13H12O

Guidance literature:

(1,1-dibromobut-1-en-3-yn-2-yl)benzene; With n-butyllithium; In hexane; toluene; at -20 - 0 ℃;

(S)-Propylene oxide; With boron trifluoride diethyl etherate; In diethyl ether; hexane; toluene; at -20 - 20 ℃; Further stages. Title compound not separated from byproducts.;

DOI:10.1021/jo701810g

upstream raw materials:

(1,1-dibromobut-1-en-3-yn-2-yl)benzene

(S)-Propylene oxide

(R)-propylene oxide

Refernces

• 1、 Luu, Thanh,Morisaki, Yasuhiro,Cunningham, Nina,Tykwinski, Rik R.. "One-pot formation and derivatization of di- and triynes based on the Fritsch-Buttenberg-Wiechell rearrangement". . p. 9622 - 9629. Retrieved 2008/03/15.