Diethyl(3-bromopropyl)(phenyl)propanedioate

Base Information

• Chemical Name: Diethyl(3-bromopropyl)(phenyl)propanedioate
• CAS No.: 33837-55-7
• Molecular Formula: C16H21BrO4
• Molecular Weight: 357.244
• NSC Number: 85163
• DSSTox Substance ID: DTXSID90292730
• Wikidata: Q82031155

Synonyms:33837-55-7;diethyl(3-bromopropyl)(phenyl)propanedioate;NSC85163;NCIOpen2_009375;SCHEMBL22119058;DTXSID90292730;NSC-85163;A822060;diethyl 2-(3-bromopropyl)-2-phenyl-propanedioate;1-(3-(Benzyloxy)phenyl)ethanone

Chemical Property of Diethyl(3-bromopropyl)(phenyl)propanedioate

Chemical Property:

• Vapor Pressure: 9.89E-07mmHg at 25°C
• Boiling Point: 403.8°Cat760mmHg
• Flash Point: 198°C
• Density: 1.297g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 356.06232
• Heavy Atom Count: 21
• Complexity: 319

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCCBr)(C1=CC=CC=C1)C(=O)OCC

Technology Process of Diethyl(3-bromopropyl)(phenyl)propanedioate

There total 3 articles about Diethyl(3-bromopropyl)(phenyl)propanedioate 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 2-phenylethanoate (101-97-3) → diethyl 2-(3-bromopropyl)-2-phenyl-propanedioate (33837-55-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanolic sodium ethylate / Erhitzen des Reaktionsprodukts unter 200 Tor auf 140-150grad

2: sodium

With sodium ethanolate; sodium;

DOI:10.1021/ja01281a029

Reference yield:

diethyl 2-phenylmalonate (83-13-6) + 1,3-dibromo-propane (109-64-8) → diethyl 2-(3-bromopropyl)-2-phenyl-propanedioate (33837-55-7)

Guidance literature:

With sodium;

DOI:10.1021/ja01281a029

Reference yield:

→ diethyl 2-(3-bromopropyl)-2-phenyl-propanedioate (33837-55-7)

Guidance literature:

Diethyl-phenylmalonat, 1,3-Dibrompropan, Na-Hydrid;

DOI:10.1021/jm00291a019

upstream raw materials:

diethyl 2-phenylmalonate

1,3-dibromo-propane

Ethyl 2-phenylethanoate

Downstream raw materials:

6-cyano-2,6,6-triphenyl-hexanoic acid

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