Benzyl 4-chloro-3-oxobutanoate

Base Information

• Chemical Name: Benzyl 4-chloro-3-oxobutanoate
• CAS No.: 32807-27-5
• Molecular Formula: C11H11ClO3
• Molecular Weight: 226.65600
• DSSTox Substance ID: DTXSID00573860
• Nikkaji Number: J2.310.891G
• Wikidata: Q82462707
• Mol file: 32807-27-5.mol

Synonyms:BENZYL 4-CHLORO-3-OXOBUTANOATE;32807-27-5;benzyl 4-chloroacetoacetate;Butanoic acid, 4-chloro-3-oxo-, phenylmethyl ester;SCHEMBL5413781;DTXSID00573860;AIJGDSYLHMOGOA-UHFFFAOYSA-N;BENZYL4-CHLORO-3-OXOBUTANOATE;AKOS016006810;Benzyl 4-chloro-3-oxobutanoate, 97%;CS-0451076;A850325

Chemical Property of Benzyl 4-chloro-3-oxobutanoate

Chemical Property:

• Boiling Point: 320.8±22.0 °C(Predicted)
• PKA: 9.47±0.46(Predicted)
• PSA: 43.37000
• Density: 1.233±0.06 g/cm3(Predicted)
• LogP: 1.92780
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 226.0396719
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

99%min ^*data from raw suppliers

Benzyl4-chloro-3-oxobutanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)CCl

Technology Process of Benzyl 4-chloro-3-oxobutanoate

There total 1 articles about Benzyl 4-chloro-3-oxobutanoate 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:

→ benzyl 4-chloroacetoacetate (32807-27-5)

Guidance literature:

Reference yield:

benzyl 4-chloroacetoacetate (32807-27-5) → 4-methoxy-3-oxo-butyric acid benzyl ester (242486-38-0)

Guidance literature:

With hydrogenchloride; sodium methylate; In tetrahydrofuran;

Reference yield:

2-phenylethanol (60-12-8) + benzyl 4-chloroacetoacetate (32807-27-5) → benzyl 4-(2-phenylethoxy)acetoacetate

Guidance literature:

With hydrogenchloride; In tetrahydrofuran;

Downstream raw materials:

benzyl 4-(2-cyclohexylethoxy)acetoacetate

4-methoxy-3-oxo-butyric acid benzyl ester