Methyl 2-bromo-2-(4-cyanophenyl)acetate

Base Information

• Chemical Name: Methyl 2-bromo-2-(4-cyanophenyl)acetate
• CAS No.: 885953-33-3
• Molecular Formula: C₁₀H₈BrNO₂
• Molecular Weight: 254.083
• European Community (EC) Number: 871-393-1
• Mol file: 885953-33-3.mol

Synonyms:Methyl 2-bromo-2-(4-cyanophenyl)acetate;885953-33-3;Methyl 2-bromo-2-(4'-cyanophenyl)acetate;SCHEMBL5077987;NILGZRRSMPASHK-UHFFFAOYSA-N;MFCD04038662;Methyl2-bromo-2-(4-cyanophenyl)acetate;EN300-365437;bromo-(4-cyano-phenyl)-acetic acid methyl ester

Chemical Property of Methyl 2-bromo-2-(4-cyanophenyl)acetate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 252.97384
• Heavy Atom Count: 14
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

METHYL 2-BROMO-2-(4'-CYANOPHENYL)ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(C1=CC=C(C=C1)C#N)Br

Technology Process of Methyl 2-bromo-2-(4-cyanophenyl)acetate

There total 1 articles about Methyl 2-bromo-2-(4-cyanophenyl)acetate 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: 38.0%

methyl 4-cyanobenzeneacetate (52798-01-3) → methyl 2-bromo-2-(4-cyanophenyl)acetate (885953-33-3)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 85 ℃; for 16h; Inert atmosphere;

DOI:10.1039/c6md00578k

Reference yield: 79.0%

methyl 2-bromo-2-(4-cyanophenyl)acetate (885953-33-3) + 2-ethyl-N-(3-fluoro-4-piperazin-1-yl-phenyl)-butyramide dihydrochloride → (4-Cyano-phenyl)-{4-[4-(2-ethyl-butyrylamino)-2-fluoro-phenyl]-piperazin-1-yl}-acetic acid methyl ester

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

Reference yield: 64.0%

methyl 2-bromo-2-(4-cyanophenyl)acetate (885953-33-3) + (R)-2-(4-chlorophenyl)azetidine hydrochloride → methyl 2-((R)-2-(4-chlorophenyl)azetidin-1-yl)-2-(4-cyanophenyl)acetate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 - 20 ℃; for 5h;

DOI:10.1021/acs.jmedchem.0c01768

upstream raw materials:

methyl 4-cyanobenzeneacetate

Downstream raw materials:

2-(4-(tertbutoxycarbonyl)piperazin-1-yl)-2-(4-cyanophenyl)acetic acid

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 885953-33-3 METHYL 2-BROMO-2-(4'-CYANOPHENYL)ACETATE

Send

Send

Metric Ton KG G Pound L ML

Send

Send