CID 15606227

Base Information

• Chemical Name: CID 15606227
• CAS No.: 917379-10-3
• Molecular Formula: C27H26BrNO5
• Molecular Weight: 524.411
• DSSTox Substance ID: DTXSID00575627
• Wikidata: Q82465037
• Mol file: 917379-10-3.mol

Synonyms:917379-10-3;propanoyl]-2-oxazolidinone;propanoyl]-2-oxazolidinone";DTXSID00575627;AKOS030254505;(S)-4-Benzyl-3-[(S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)

Chemical Property of CID 15606227

Chemical Property:

• Melting Point: 120-123°C
• PSA: 65.07000
• LogP: 5.32060
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 523.09944
• Heavy Atom Count: 34
• Complexity: 676

Purity/Quality:

97% ^*data from raw suppliers

(S)-4-Benzyl-3-[(S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propanoyl]-2-oxazolidinone ^*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)C(=O)N3C(COC3=O)CC4=CC=CC=C4
• Isomeric SMILES: COC1=CC=C(C=C1)[C@H](CC2=C(C=C(C=C2)OC)Br)C(=O)N3[C@H](COC3=O)CC4=CC=CC=C4

Technology Process of CID 15606227

There total 3 articles about CID 15606227 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:

4-Methoxyphenylacetic acid (104-01-8) → (S)-4-benzyl-3-((S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propanoyl)-2-oxazolidinone (917379-10-3)

Guidance literature:

Multi-step reaction with 3 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

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

DOI:10.1021/ol0620444

Reference yield:

4-methoxyphenyl-acetic chloride (4693-91-8) → (S)-4-benzyl-3-((S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propanoyl)-2-oxazolidinone (917379-10-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 237 g / n-BuLi / tetrahydrofuran; hexane / -65 - 20 °C

2: 167.4 g / NaHMDS / tetrahydrofuran / 0.17 h / cooling

With n-butyllithium; sodium hexamethyldisilazane; In tetrahydrofuran; hexane; 2: Evans alkylation;

DOI:10.1021/ol0620444

Reference yield:

2-bromo-1-(bromomethyl)-4-methoxybenzene (54788-18-0) + (4S)-3-<2-(4-Methoxyphenyl)-1-oxoethyl>-4-(phenylmethyl)-2-oxazolidinone (143589-97-3) → (S)-4-benzyl-3-((S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propanoyl)-2-oxazolidinone (917379-10-3)

Guidance literature:

With sodium hexamethyldisilazane; In tetrahydrofuran; for 0.166667h; cooling;

DOI:10.1021/ol0620444

upstream raw materials:

2-bromo-1-(bromomethyl)-4-methoxybenzene

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

4-Methoxyphenylacetic acid

4-methoxyphenyl-acetic chloride

Downstream raw materials:

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

equol

(S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-ol

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 917379-10-3 (S)-4-Benzyl-3-[(S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl) propanoyl]-2-oxazolidinone

Send

Send

Metric Ton KG G Pound L ML

Send

Send