Acetic acid 1-(3-methoxy-phenyl)-but-3-enyl ester

Base Information

• Chemical Name: Acetic acid 1-(3-methoxy-phenyl)-but-3-enyl ester
• CAS No.: 114095-72-6
• Molecular Formula: C13H16 O3
• Molecular Weight: 220.26434
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID00451750
• Nikkaji Number: J1.032.344D
• Mol file: 114095-72-6.mol

Synonyms:114095-72-6;ACETIC ACID 1-(3-METHOXY-PHENYL)-BUT-3-ENYL ESTER;1-(3-methoxyphenyl)but-3-enyl Acetate;1-(3-Methoxyphenyl)but-3-en-1-yl acetate;DTXSID00451750;AKOS015964269;Acetic acid alpha-allyl-3-methoxybenzyl ester

Chemical Property of Acetic acid 1-(3-methoxy-phenyl)-but-3-enyl ester

Chemical Property:

• Boiling Point: 301.8±37.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.040±0.06 g/cm3(Predicted)
• LogP: 2.87550
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

ACETIC ACID 1-(3-METHOXY-PHENYL)-BUT-3-ENYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(CC=C)C1=CC(=CC=C1)OC

Technology Process of Acetic acid 1-(3-methoxy-phenyl)-but-3-enyl ester

There total 5 articles about Acetic acid 1-(3-methoxy-phenyl)-but-3-enyl ester 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: 94.0%

acetic anhydride (108-24-7) + allyl bromide (106-95-6) + 3-methoxy-benzaldehyde (591-31-1) → 1-(3-methoxyphenyl)-3-butenyl acetate (114095-72-6)

Guidance literature:

With indium; In tetrahydrofuran; at 40 ℃; for 0.833333h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.01.092

Reference yield: 80.0%

1,1-diacetoxy-1-(3-methoxyphenyl)methane (59184-17-7) + allyl-trimethyl-silane (762-72-1) → 1-(3-methoxyphenyl)-3-butenyl acetate (114095-72-6) + 1-(1-allyl-but-3-enyl)-3-methoxy-benzene

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In dichloromethane; at 20 ℃; for 6h;

DOI:10.1055/s-2001-13379

Reference yield: 59.0%

acetic anhydride (108-24-7) + 3-methoxy-benzaldehyde (591-31-1) + allyl-trimethyl-silane (762-72-1) → 1-(3-methoxyphenyl)-3-butenyl acetate (114095-72-6)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In acetonitrile; for 2.25h;

DOI:10.1021/jo048475m

upstream raw materials:

1-(3-methoxyphenyl)but-3-en-1-ol

acetic anhydride

3-methoxy-benzaldehyde

allyl-trimethyl-silane