Benzoic acid neopentyl ester

Base Information

• Chemical Name: Benzoic acid neopentyl ester
• CAS No.: 3581-70-2
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• Hs Code.: 2916310090
• Mol file: 3581-70-2.mol

Synonyms:1-Propanol,2,2-dimethyl-, benzoate (8CI,9CI); 2,2-Dimethyl-1-propanol benzoate; NSC 895;Neopentyl benzoate

Chemical Property of Benzoic acid neopentyl ester

Chemical Property:

• Vapor Pressure: 0.0207mmHg at 25°C
• Boiling Point: 251.3°C at 760 mmHg
• Flash Point: 110.4°C
• PSA: 26.30000
• Density: 0.994g/cm³
• LogP: 2.88950

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid neopentyl ester

There total 15 articles about Benzoic acid neopentyl 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%

→ neopentyl benzoate (3581-70-2)

Guidance literature:

Reference yield: 75.0%

2,2-dimethyl-propanol-1 (75-84-3) + benzoyl chloride (98-88-4) → neopentyl benzoate (3581-70-2)

Guidance literature:

With pyridine; In dichloromethane; for 3h; Cooling with ice;

DOI:10.1055/a-1649-5460

Reference yield: 70.0%

2,2-dimethyl-propanol-1 (75-84-3) + benzoic acid (65-85-0,8013-63-6) → neopentyl benzoate (3581-70-2)

Guidance literature:

With diphenylammonium trifluoromethanesulfonate; In various solvent(s); at 80 ℃; for 24h;

DOI:10.1016/S0040-4039(02)02872-1

upstream raw materials:

2,2-dimethyl-propanol-1

benzoyl chloride

dimethyl benzoylphosphonate

benzoic acid

Downstream raw materials:

neopentyl pivalate

benzyl pivalate

benzoic acid benzyl ester

pivalaldehyde