Allyl 4-chloro-2-(allyloxy)benzoate

Base Information

• Chemical Name: Allyl 4-chloro-2-(allyloxy)benzoate
• CAS No.: 93856-97-4
• Molecular Formula: C13H13 Cl O3
• Molecular Weight: 252.697
• European Community (EC) Number: 299-132-1
• UNII: G7CS89WV32
• DSSTox Substance ID: DTXSID70239789
• Nikkaji Number: J320.581I
• Wikidata: Q83122258
• Mol file: 93856-97-4.mol

Synonyms:Allyl 4-chloro-2-(allyloxy)benzoate;93856-97-4;EINECS 299-132-1;G7CS89WV32;UNII-G7CS89WV32;SCHEMBL5575323;DTXSID70239789;4-Chloro-2-(allyloxy)benzoic acid allyl ester;BENZOIC ACID, 4-CHLORO-2-(2-PROPEN-1-YLOXY)-, 2-PROPEN-1-YL ESTER

Chemical Property of Allyl 4-chloro-2-(allyloxy)benzoate

Chemical Property:

• Vapor Pressure: 4.76E-05mmHg at 25°C
• Boiling Point: 349.2°Cat760mmHg
• Flash Point: 137.8°C
• PSA: 35.53000
• Density: 1.151g/cm³
• LogP: 3.24760
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 252.0553220
• Heavy Atom Count: 17
• Complexity: 278

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=C(C=CC(=C1)Cl)C(=O)OCC=C

Technology Process of Allyl 4-chloro-2-(allyloxy)benzoate

There total 1 articles about Allyl 4-chloro-2-(allyloxy)benzoate 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: 77.0%

4-chlorosalicylic acid (5106-98-9) + allyl bromide (106-95-6) → allyl 2-(allyloxy)-4-chlorobenzoate (93856-97-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1021/acs.joc.6b01691

Reference yield: 82.0%

allyl 2-(allyloxy)-4-chlorobenzoate (93856-97-4) → 2-(allyloxy)-4-chlorobenzaldehyde (787633-69-6)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1021/acs.joc.6b01691

Reference yield: 66.0%

allyl 2-(allyloxy)-4-chlorobenzoate (93856-97-4) → (2-(allyloxy)-4-chlorophenyl)methanol (900504-98-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -10 - 20 ℃;

DOI:10.1021/acs.joc.6b01691

upstream raw materials:

4-chlorosalicylic acid

allyl bromide

Downstream raw materials:

C₃₄H₃₆ClN₃O₆

C₂₈H₃₂ClN₃O₇

C₂₈H₃₂ClN₃O₇

C₃₀H₃₆ClN₃O₇

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