2-Allylanisole

Base Information

• Chemical Name: 2-Allylanisole
• CAS No.: 3698-28-0
• Molecular Formula: C10H12 O
• Molecular Weight: 148.205
• Hs Code.: 2909309090
• European Community (EC) Number: 624-186-3
• NSC Number: 99745
• DSSTox Substance ID: DTXSID30190468
• Nikkaji Number: J141.461E
• Wikidata: Q83062834
• Mol file: 3698-28-0.mol

Synonyms:2-Allylanisole;3698-28-0;1-allyl-2-methoxybenzene;3-(2-METHOXYPHENYL)-1-PROPENE;1-methoxy-2-prop-2-enylbenzene;Benzene, 1-methoxy-2-(2-propenyl)-;MFCD00272573;1-methoxy-2-(prop-2-en-1-yl)benzene;O-ALLYLANISOLE;NSC99745;2-Allylanisole, 96%;AI3-17969;NCIOpen2_002051;SCHEMBL592331;DTXSID30190468;BCINBJDCXBFCDT-UHFFFAOYSA-N;NSC 99745;NSC-99745;AKOS016016800;CS-0267269;FT-0690959;EN300-45380

Chemical Property of 2-Allylanisole

Chemical Property:

• Vapor Pressure: 0.496mmHg at 25°C
• Boiling Point: 198.9°C at 760 mmHg
• Flash Point: 70.9°C
• PSA: 9.23000
• Density: 0.962 g/mL at 25 °C
• LogP: 2.42370
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

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

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=CC=C1CC=C

Technology Process of 2-Allylanisole

There total 41 articles about 2-Allylanisole 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: 95.0%

Allyl acetate (591-87-7) + 2-bromoanisole (578-57-4) → 2-allylanisole (3698-28-0)

Guidance literature:

2-bromoanisole; With magnesium; lithium chloride; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

With iron(III)-acetylacetonate; In tetrahydrofuran; at 0 ℃; for 0.0833333h;

Allyl acetate; In tetrahydrofuran; for 2h;

Reference yield: 95.0%

4-iodoanisol (529-28-2) + allyl bromide (106-95-6) → 2-allylanisole (3698-28-0)

Guidance literature:

4-iodoanisol; With diethylzinc; In hexane; N,N-dimethyl-formamide; at 20 ℃; for 5h;

allyl bromide; In hexane; N,N-dimethyl-formamide; at 20 ℃; for 20h; Further stages.;

DOI:10.1039/b605807h

Reference yield: 87.0%

o-Allylphenol (1745-81-9) + methyl iodide (74-88-4) → 2-allylanisole (3698-28-0)

Guidance literature:

With potassium carbonate; In water; acetone; at 40 ℃; for 20h;

DOI:10.1016/j.tet.2010.06.035

upstream raw materials:

diazomethane

o-Allylphenol

dimethyl sulfate

methyl iodide

Downstream raw materials:

1-Methoxy-2-(2-methyl-pent-4-enyl)-benzene

(E)-1-(2-methoxyphenyl)prop-1-ene

2-methoxycinnamyl alcohol

(2-methoxy-benzyl)-oxirane