CID 6100336

Base Information

• Chemical Name: CID 6100336
• CAS No.: 193065-68-8
• Molecular Formula: C5H9 Br O2 Zn
• Molecular Weight: 246.419
• Hs Code.: 29319090
• Mol file: 193065-68-8.mol

Synonyms:

Chemical Property of CID 6100336

Chemical Property:

• Vapor Pressure: 44.5mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: 1℉
• PSA: 26.30000
• Density: 0.972g/mLat25℃
• LogP: 1.75030
• Storage Temp.: 2-8°C
• Water Solubility.: Reacts with water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.90773
• Heavy Atom Count: 9
• Complexity: 61.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Ethoxy-3-oxopropylzinc bromide solution 0.5 M in THF ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi,Xn
• Statements: 11-19-36/37-40
• Safety Statements: 16-26-29-33-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C[CH2-].[Zn+]Br
• Uses: 3-Ethoxy-3-oxopropylzinc bromide is a reagent used to insert ethyl propanoate group to the substrate. It can be used in:Synthesis of γ-keto esters from aryl chlorides.Synthesis of sulfones from 1,4-diazabicyclo[2.2.2]octane bis(sulfur dioxide) (DABSO) and alkyl halides.Negishi cross-couplings with aryl vinyl phosphates to synthesize 1,1-disubstituted alkenes.

Technology Process of CID 6100336

There total 1 articles about CID 6100336 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:

Ethyl 3-bromopropionate (539-74-2) + zinc (7440-66-6) → (3-ethoxy-3-oxopropyl)zinc(II) bromide (193065-68-8)

Guidance literature:

With iodine; lithium chloride; In tetrahydrofuran; at 50 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.09.038

Reference yield: 98.0%

(E)-2-bromo-N-(5-tert-butyl-2-butyl-1-methyl-1H-pyrazol-3(2H)-ylidene)-5-(trifluoromethyl)benzamide (1246444-69-8) + (3-ethoxy-3-oxopropyl)zinc(II) bromide (193065-68-8) → ethyl 3-[2-({[(3E)-2-butyl-5-tert-butyl-1-methyl-1,2-dihydro-3H-pyrazol-3-ylidene]amino}carbonyl)-4-(trifluoromethyl)phenyl]propanoate (1246444-49-4)

Guidance literature:

dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; In tetrahydrofuran; at 65 ℃;

Reference yield: 95.0%

(1R*,2S*)-2-(2-bromo-phenyl)-1-t-butoxycarbonylamino-cyclopropanecarboxylic acid methyl ester + (3-ethoxy-3-oxopropyl)zinc(II) bromide (193065-68-8) → (1R*,2S*)-1-t-butoxycarbonylamino-2-[2-(2-ethoxycarbonyl-ethyl)-phenyl]-cyclopropanecarboxylic acid methyl ester

Guidance literature:

(1R*,2S*)-2-(2-bromo-phenyl)-1-t-butoxycarbonylamino-cyclopropanecarboxylic acid methyl ester; (3-ethoxy-3-oxopropyl)zinc(II) bromide; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 1,2,3,4,5-pentaphenyl-1'-(di-t-butylphosphino)ferrocene; In tetrahydrofuran; at 20 ℃; for 2h;

With hydrogenchloride; In tetrahydrofuran; water;

upstream raw materials:

Ethyl 3-bromopropionate

zinc

Downstream raw materials:

5-tert-butoxycarbonylamino-L-6-(3-fluorophenyl)-4-oxo-hexanoic acid ethyl ester

3-(4-tert-butyloxycarbonylphenyl)propionic acid ethyl ester

C₃₃H₄₃FN₂O₄Si

ethyl 4-(2-methylphenyl)-4-pentenoate

Refernces