2-Pentenoic acid, 5-phenyl-, methyl ester, (2Z)-

Base Information

• Chemical Name: 2-Pentenoic acid, 5-phenyl-, methyl ester, (2Z)-
• CAS No.: 129042-95-1
• Molecular Formula: C₁₂H₁₄O₂
• Molecular Weight: 190.242
• DSSTox Substance ID: DTXSID40340210
• Mol file: 129042-95-1.mol

Synonyms:2-Pentenoic acid, 5-phenyl-, methyl ester, (2Z)-;26429-96-9;DTXSID40340210

Chemical Property of 2-Pentenoic acid, 5-phenyl-, methyl ester, (2Z)-

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C=CCCC1=CC=CC=C1

Technology Process of 2-Pentenoic acid, 5-phenyl-, methyl ester, (2Z)-

There total 12 articles about 2-Pentenoic acid, 5-phenyl-, methyl ester, (2Z)- 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: 95.0%

3-phenyl-propionaldehyde (104-53-0) + C21H19O5PS (1070879-04-7) → methyl 5-phenylpent-2-enoate (129042-95-1) + potassium; 3-(diphenyl-phosphinoyl)-benzenesulfonate

Guidance literature:

C₂₁H₁₉O₅PS; With potassium carbonate; In methanol; for 0.0833333h;

3-phenyl-propionaldehyde; In methanol; at 20 ℃;

DOI:10.1021/jo801418a

Reference yield: 66.0%

3-phenyl-propionaldehyde (104-53-0) + methyl (triphenylphosphoranylidene)acetate (21204-67-1,2605-67-6) → methyl 5-phenylpent-2-enoate (129042-95-1)

Guidance literature:

In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.01.045

Reference yield:

3-phenyl-propionaldehyde (104-53-0) + methyl (R)-[(2,2'-bishydroxy-1,1'-binaphthyl)phosphonyl]acetate (247164-62-1,150423-42-0) → methyl 5-phenylpent-2-enoate (129042-95-1)

Guidance literature:

With sodium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃;

DOI:10.1021/ja990860j

upstream raw materials:

3-phenyl-propionaldehyde

methyl (R)-[(2,2'-bishydroxy-1,1'-binaphthyl)phosphonyl]acetate

(2,6-Dimethyl-4-oxo-3,5-dioxa-4λ⁵-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-acetic acid methyl ester

C₂₁H₁₉O₅PS

Downstream raw materials:

5-phenyl-n-valeric acid methyl ester

5-phenylpenta-2-en-1-ol

5-phenyl-2(E)-pentenoic acid

(Z)-5-Phenylpent-2-enoic Acid