1,3-Butanediol, 3-methyl-, 1-benzoate

Base Information

• Chemical Name: 1,3-Butanediol, 3-methyl-, 1-benzoate
• CAS No.: 5205-04-9
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• Mol file: 5205-04-9.mol

Synonyms:3-methyl-3-hydroxybutyl benzoate;Benzoesaeure-[3-hydroxy-3-methyl-butylester];2-methyl-4-benzoxy-2-butanol;

Chemical Property of 1,3-Butanediol, 3-methyl-, 1-benzoate

Chemical Property:

• PSA: 46.53000
• LogP: 2.00440

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3-Butanediol, 3-methyl-, 1-benzoate

There total 20 articles about 1,3-Butanediol, 3-methyl-, 1-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: 94.0%

3-methyl-butane-1,3-diol (2568-33-4) + benzoyl chloride (98-88-4) → (3-hydroxy-3-methylbutyl) benzoate (5205-04-9)

Guidance literature:

With iron(III)-acetylacetonate; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 6h; regioselective reaction; Green chemistry;

DOI:10.1039/c8gc00428e

Reference yield: 93.5%

2-phenyl-4,4-dimethyl-1,3-dioxane (58303-59-6) → isoamyl benzoate (94-46-2) + (3-hydroxy-3-methylbutyl) benzoate (5205-04-9)

Guidance literature:

With Dimethyldisulphide; In benzene; for 24h; Irradiation;

DOI:10.1016/j.tetlet.2003.10.211

Reference yield: 93.0%

2-phenyl-4,4-dimethyl-1,3-dioxanium hexachloroantimonate → (3-hydroxy-3-methylbutyl) benzoate (5205-04-9)

Guidance literature:

With water; Heating;

DOI:10.1007/BF00516201

upstream raw materials:

3-methyl-butane-1,3-diol

benzoyl chloride

H₂SiEt₂

3-methyl-2-butenyl benzoate

Refernces

• 1、 Bhunia, Anup,Bergander, Klaus,Daniliuc, Constantin Gabriel,Studer, Armido. "Fe-Catalyzed Anaerobic Mukaiyama-Type Hydration of Alkenes using Nitroarenes". supporting information. p. 8313 - 8320. Retrieved 2021/03/08.
• 2、 Zhang, Wei,Gu, Yu-Cheng,Lin, Jin-Hong,Xiao, Ji-Chang. "Dehydroxylative Fluorination of Tertiary Alcohols". supporting information. p. 6642 - 6646. Retrieved 2020/09/02.