3-(4-Methoxyphenyl)-2-propen-1-ol

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-2-propen-1-ol
• CAS No.: 17581-85-0
• Molecular Formula: C₁₀H₁₂O₂
• Molecular Weight: 164.204
• Hs Code.: 2909499000
• NSC Number: 26455
• DSSTox Substance ID: DTXSID401283792
• Nikkaji Number: J440.224C,J757.602A
• Metabolomics Workbench ID: 45630
• ChEMBL ID: CHEMBL4170861
• Mol file: 17581-85-0.mol

Synonyms:4-methoxycinnamyl alcohol

Chemical Property of 3-(4-Methoxyphenyl)-2-propen-1-ol

Chemical Property:

• Vapor Pressure: 0.000182mmHg at 25°C
• Melting Point: 76-78°
• Boiling Point: 315.7°Cat760mmHg
• Flash Point: 146.7°C
• PSA: 29.46000
• Density: 1.08g/cm³
• LogP: 1.70070
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Methoxyphenyl)-2-propen-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=CCO
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C/CO
• Uses: 3-(4-Methoxyphenyl)-2-propen-1-ol is a useful reagent.

Technology Process of 3-(4-Methoxyphenyl)-2-propen-1-ol

There total 19 articles about 3-(4-Methoxyphenyl)-2-propen-1-ol 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: 98.0%

4-methoxycinnamaldehyde (1963-36-6) → p-methoxycinnamyl alcohol (53484-50-7,17581-85-0)

Guidance literature:

With sodium tetrahydroborate; ethanol; at 0 - 20 ℃; for 0.5h;

DOI:10.1080/14756366.2016.1181626

Reference yield: 95.0%

ethyl p-methoxycinnamate (24393-56-4,51507-22-3,1929-30-2) → p-methoxycinnamyl alcohol (53484-50-7,17581-85-0)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 - 0 ℃; for 3h;

DOI:10.1039/c4cc07796b

Reference yield: 93.0%

1-(4-methoxylphenyl)-2-propen-1-ol (51410-44-7) → p-methoxycinnamyl alcohol (53484-50-7,17581-85-0)

Guidance literature:

With silica-supported monomeric vanadium-oxo species; In acetonitrile; at 20 ℃; for 14h; Inert atmosphere;

DOI:10.1002/cctc.201300200

upstream raw materials:

methyl p-methoxycinnamate

Estragole

ethyl p-methoxycinnamate

1-(4-methoxylphenyl)-2-propen-1-ol

Downstream raw materials:

4-Methoxy-zimtalkohol-methylether

C₁₉H₂₁NO

(R)-1-(4-methoxyphenyl)prop-2-en-1-amine hydrochloride

4-methoxycinnamyl ethyl carbonate

Refernces

• 1、 Liu, Qinglin,Liu, Qian,Chen, Yurong,Li, Yinle,Su, Hui,Liu, Qinghua,Li, Guangqin. "Ir nanoclusters confined within hollow MIL-101(Fe) for selective hydrogenation of α,β-unsaturated aldehyde". supporting information. p. 374 - 377. Retrieved 2021/08/13.
• 2、 Zhang, Meng Juan,Young, David James,Ma, Ji Long,Shao, Guo Quan. "Copper(i) pyrimidine-2-thiolate cluster-based polymers as bifunctional visible-light-photocatalysts for chemoselective transfer hydrogenation of α,β-unsaturated carbonyls". . p. 14899 - 14904. Retrieved 2021/05/19.