3-(4-Methoxyphenyl)propan-1-ol

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)propan-1-ol
• CAS No.: 5406-18-8
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2909499000
• European Community (EC) Number: 226-463-0
• NSC Number: 5311
• UNII: S9PVU97PBV
• DSSTox Substance ID: DTXSID20202382
• Nikkaji Number: J217.970I
• Wikidata: Q83075659
• Mol file: 5406-18-8.mol

Synonyms:3-(4-methoxyphenyl)propan-1-ol

Chemical Property of 3-(4-Methoxyphenyl)propan-1-ol

Chemical Property:

• Vapor Pressure: 0.00145mmHg at 25°C
• Melting Point: 26 °C
• Refractive Index: n20/D 1.532(lit.)
• Boiling Point: 283.9 °C at 760 mmHg
• PKA: 15.08±0.10(Predicted)
• Flash Point: 122.3 °C
• PSA: 29.46000
• Density: 1.037 g/cm³
• LogP: 1.62010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

98% ^*data from raw suppliers

3-(4-Methoxyphenyl)-1-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCCO

Technology Process of 3-(4-Methoxyphenyl)propan-1-ol

There total 88 articles about 3-(4-Methoxyphenyl)propan-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: 99.0%

ethyl 3-(4-methoxyphenyl)propanoate (22767-72-2) → 3-(p-methoxyphenyl)-1-propanol (5406-18-8)

Guidance literature:

With methanol; Na/SiO₂; In tetrahydrofuran; at 0 - 25 ℃; Inert atmosphere;

DOI:10.1021/jo802778z

Reference yield: 98.0%

methyl p-methoxycinnamate (832-01-9,3901-07-3,19310-29-3) → 3-(p-methoxyphenyl)-1-propanol (5406-18-8)

Guidance literature:

With methanol; Na/SiO₂; In tetrahydrofuran; at 0 - 25 ℃; Inert atmosphere;

DOI:10.1021/jo802778z

Reference yield: 98.0%

C16H28O2Si (1010079-18-1) → 3-(p-methoxyphenyl)-1-propanol (5406-18-8)

Guidance literature:

With 1-methyl-1-[4-(3-phenyl-propoxymethyl)-phenyl]-siletane; In tetrahydrofuran; water; acetic acid; for 4h;

DOI:10.1021/jo802229p

upstream raw materials:

ethanol

ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate

ethyl 3-(4-methoxyphenyl)propanoate

3-(4-methoxy-phenyl)propionamide

Downstream raw materials:

3-(4-hydroxyphenyl)propan-1-ol

3-(4-methoxyphenyl)propyl bromide

3-(4'-methoxy phenyl)-propylchloride

Estragole

Refernces

Asymmetric synthesis, characterization and stereoselectivity of novel 1-{2-[(1R,2S)-2-(Chloromethyl)cyclopropyl]ethyl}-4-methoxybenzene via boronate complex

10.14233/ajchem.2014.16244

The study focuses on the development of a novel catalytic enantioselective method for the synthesis of chiral organoboronates, which are valuable precursors for the preparation of enantio-enriched compounds. The researchers synthesized a novel compound, 1-[2-{(1R,2S)-2-(chloromethyl)cyclopropyl]ethyl}-4-methoxybenzene, through a cyclopropanation reaction using boronate complexes as nucleophiles. Key chemicals used in the study include N,N-diisopropylcarbamoyl chloride, 3-(4-methoxyphenyl)-1-propanol, n-butyl lithium (n-BuLi), allylboronic acid pinacol ester, (-) sparteine, N,N,N,N-tetramethyl-ethylenediamine (TMEDA), 1,3-bis(trifluoromethyl)-5-bromobenzene, N-chlorosuccinimide (NCS), and trichloroisocyanuric acid (TCCA). These chemicals served various purposes, such as reactants, catalysts, and reagents in the synthesis process, with the aim of achieving high yields and enantioselectivity in the production of the target chiral compound. The study also investigated the effects of temperature and the choice of aryllithiums and electrophiles on the yields and stereoselectivity of the reaction.

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