3-ALLYL-BENZOIC ACID

Base Information

• Chemical Name: 3-ALLYL-BENZOIC ACID
• CAS No.: 1077-07-2
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 2916399090
• Mol file: 1077-07-2.mol

Synonyms:m-Allyl-benzoesaeure;3-Allyl-benzoesaeure;3-allylbenzoic acid;3-Allylbenzoate;

Chemical Property of 3-ALLYL-BENZOIC ACID

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 294.86oC at 760 mmHg
• Flash Point: 136.613oC
• PSA: 37.30000
• Density: 1.108g/cm3
• LogP: 2.11330

Purity/Quality:

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

3-(2-Propenyl)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-ALLYL-BENZOIC ACID

There total 3 articles about 3-ALLYL-BENZOIC ACID 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: 83.0%

3-allyl-benzoic acid ethyl ester (372510-70-8) → 3-allylbenzoic acid (1077-07-2)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 3h;

DOI:10.1021/jm0497996

Reference yield:

3-iodobenzoic acid methyl ester (58313-23-8) → 3-allylbenzoic acid (1077-07-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: isopropylmagnesium chloride / tetrahydrofuran / 1 h / -40 °C

1.2: CuCN; LiCl / tetrahydrofuran / 0.25 h

1.3: 77 percent / tetrahydrofuran / 1 h

2.1: 83 percent / aq. NaOH / ethanol / 3 h / 20 °C

With sodium hydroxide; isopropylmagnesium chloride; In tetrahydrofuran; ethanol;

DOI:10.1021/jm0497996

Reference yield:

3-Iodobenzoic acid (618-51-9) → 3-allylbenzoic acid (1077-07-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 93 percent / thionyl chloride / 4 h / 60 °C

2.1: isopropylmagnesium chloride / tetrahydrofuran / 1 h / -40 °C

2.2: CuCN; LiCl / tetrahydrofuran / 0.25 h

2.3: 77 percent / tetrahydrofuran / 1 h

3.1: 83 percent / aq. NaOH / ethanol / 3 h / 20 °C

With sodium hydroxide; thionyl chloride; isopropylmagnesium chloride; In tetrahydrofuran; ethanol;

DOI:10.1021/jm0497996

upstream raw materials:

3-allyl-benzoic acid ethyl ester

3-iodobenzoic acid methyl ester

3-Iodobenzoic acid

Downstream raw materials:

methyl 3-(2-propenyl)benzoate

Refernces