CID 54049663

Base Information

• Chemical Name: CID 54049663
• CAS No.: 58927-89-2
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.258
• DSSTox Substance ID: DTXSID30708663

Synonyms:DTXSID30708663;AKOS017440036

Chemical Property of CID 54049663

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 145

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=CC1=CC=CC=C1)O

Technology Process of CID 54049663

There total 19 articles about CID 54049663 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: 100.0%

(E)-5-phenylpent-4-enal (36884-75-0) → (+/-)-(E)-6-phenylhex-5-en-2-ol (58927-89-2,126187-52-8,126187-53-9,127047-14-7)

Guidance literature:

In diethyl ether; Inert atmosphere;

DOI:10.1021/ja5056774

Reference yield: 97.0%

(E)-5-phenylpent-4-enal (36884-75-0) + methylmagnesium bromide (75-16-1) → (+/-)-(E)-6-phenylhex-5-en-2-ol (58927-89-2,126187-52-8,126187-53-9,127047-14-7)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201108315

Reference yield: 81.0%

6-phenyl-5-hexyn-2-ol (24595-57-1) → (+/-)-(E)-6-phenylhex-5-en-2-ol (58927-89-2,126187-52-8,126187-53-9,127047-14-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1016/S0040-4039(02)00065-5

upstream raw materials:

1-phenyl-1,3-hexadien-5-one

iodobenzene

hex-5-en-2-ol

(E)-3-phenyl-3-vinyloxyprop-1-ene

Downstream raw materials:

Toluene-4-sulfonic acid (E)-1-methyl-5-phenyl-pent-4-enyl ester

(E)-6-phenylhex-5-en-2-one

(-)-(1S,3R,6R,7R,9R)-3-methyl-9-methyl-7-phenyl-2,8-dioxabicyclo[4.4.0]decane

(+)-(1R,3S,6S,7S,9R)-3-methyl-9-methyl-7-phenyl-2,8-dioxabicyclo[4.4.0]decane

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