(S)-3-(2-Bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-OL

Base Information

• Chemical Name: (S)-3-(2-Bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-OL
• CAS No.: 917379-11-4
• Molecular Formula: C17H19BrO3
• Molecular Weight: 351.24
• DSSTox Substance ID: DTXSID90575595
• Wikidata: Q82464996
• Mol file: 917379-11-4.mol

Synonyms:917379-11-4;(S)-3-(2-BROMO-4-METHOXYPHENYL)-2-(4-METHOXYPHENYL)PROPAN-1-OL;(2S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-ol;(S)-2-Bromo-4-methoxy--(4-methoxyphenyl)benzenepropanol;DTXSID90575595;AKOS030243033

Chemical Property of (S)-3-(2-Bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-OL

Chemical Property:

• Vapor Pressure: 8.91E-09mmHg at 25°C
• Boiling Point: 447.1°C at 760 mmHg
• Flash Point: 224.2°C
• PSA: 38.69000
• Density: 1.341g/cm³
• LogP: 3.78490
• Solubility.: Dichloromethane, Ethyl Acetate, Tetrahydrofuran
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 350.05176
• Heavy Atom Count: 21
• Complexity: 292

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-(2-Bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-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(CC2=C(C=C(C=C2)OC)Br)CO
• Isomeric SMILES: COC1=CC=C(C=C1)[C@H](CC2=C(C=C(C=C2)OC)Br)CO

Technology Process of (S)-3-(2-Bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-OL

There total 4 articles about (S)-3-(2-Bromo-4-methoxyphenyl)-2-(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: 96.0%

(S)-4-benzyl-3-((S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propanoyl)-2-oxazolidinone (917379-10-3) → (S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-ol (917379-11-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 0.25h; cooling;

DOI:10.1021/ol0620444

Reference yield:

4-Methoxyphenylacetic acid (104-01-8) → (S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-ol (917379-11-4)

Guidance literature:

Multi-step reaction with 4 steps

1: SOCl₂ / 2 h / Heating

2: 237 g / n-BuLi / tetrahydrofuran; hexane / -65 - 20 °C

3: 167.4 g / NaHMDS / tetrahydrofuran / 0.17 h / cooling

4: 96 percent / LiAlH₄ / tetrahydrofuran / 0.25 h / cooling

With lithium aluminium tetrahydride; n-butyllithium; thionyl chloride; sodium hexamethyldisilazane; In tetrahydrofuran; hexane; 3: Evans alkylation;

DOI:10.1021/ol0620444

Reference yield:

(4S)-3-<2-(4-Methoxyphenyl)-1-oxoethyl>-4-(phenylmethyl)-2-oxazolidinone (143589-97-3) → (S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-ol (917379-11-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 167.4 g / NaHMDS / tetrahydrofuran / 0.17 h / cooling

2: 96 percent / LiAlH₄ / tetrahydrofuran / 0.25 h / cooling

With lithium aluminium tetrahydride; sodium hexamethyldisilazane; In tetrahydrofuran; 1: Evans alkylation;

DOI:10.1021/ol0620444

upstream raw materials:

(S)-4-benzyl-3-((S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propanoyl)-2-oxazolidinone

4-Methoxyphenylacetic acid

(4S)-3-<2-(4-Methoxyphenyl)-1-oxoethyl>-4-(phenylmethyl)-2-oxazolidinone

4-methoxyphenyl-acetic chloride

Downstream raw materials:

(S)-7-methoxy-3-(4-methoxyphenyl)chromane

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