1,4-Butanediol, monobenzoate

Base Information

• Chemical Name: 1,4-Butanediol, monobenzoate
• CAS No.: 32651-37-9
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Mol file: 32651-37-9.mol

Synonyms:4-benzoyloxybutan-1-ol;1-benzoyloxy-4-butanol;4-hydroxybutyl 1-benzoate;4-benzoyloxy-1-butanol;4-hydroxybutyl benzoate;1,4-Butanediol,monobenzoate;

Chemical Property of 1,4-Butanediol, monobenzoate

Chemical Property:

• PSA: 77.76000
• LogP: 1.13600

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,4-Butanediol, monobenzoate

There total 24 articles about 1,4-Butanediol, monobenzoate 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: 100.0%

benzoic acid 4-allyloxycarbonylbutyl ester (1333925-51-1) + 2-propanethiol (75-33-2) → 4-benzoyloxybutan-1-ol (32651-37-9) + allylisopropyl sulfide (50996-72-0) + carbon dioxide (124-38-9,18923-20-1)

Guidance literature:

With [Bu₄N][Fe(CO)3(NO)]; tris(2,4,6-trimethylphenyl)phosphine; In ethanol; at 40 ℃; Inert atmosphere;

DOI:10.1021/ol202270g

Reference yield: 99.0%

potassium (4-(benzoyloxy)butyl)trifluoroborate → 4-benzoyloxybutan-1-ol (32651-37-9)

Guidance literature:

With Oxone; water; In acetone; at 20 ℃; for 0.0333333h;

DOI:10.1021/jo102208d

Reference yield: 99.0%

Butane-1,4-diol (110-63-4) + benzoyl chloride (98-88-4) → 4-benzoyloxybutan-1-ol (32651-37-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; Inert atmosphere;

DOI:10.1002/cmdc.201600325

upstream raw materials:

2-phenyl-[1,3]dioxepane

trans-benzoic acid 4-oxo-but-2-enyl ester

Butane-1,4-diol

benzoyl chloride

Downstream raw materials:

4-((tert-butyldimethylsilyl)oxy)butyl benzoate

4-iodobutylbenzoate

4-{3-(dimethylamino)-5-[(triisopropylsilyl)oxy]phenoxy}butyl benzoate

1-(4-benzoyloxybutyloxymethyl)-6-(3,5-dimethylbenzyl)-5-ethyluracil

Refernces

• 1、 Burde, Ameya S.,Karyakarte, Shuklendu D.,Sylvester, Eric D.,Chemler, Sherry R.. "Copper-catalyzed enantioselective synthesis of bridged bicyclic ketals from 1,1-disubstituted-4-methylene-1,6-hexanediols and related alkenols". supporting information. p. 105 - 108. Retrieved 2021/01/14.
• 2、 Matsuoka, Keitaro,Komami, Narumi,Kojima, Masahiro,Mita, Tsuyoshi,Suzuki, Kimichi,Maeda, Satoshi,Yoshino, Tatsuhiko,Matsunaga, Shigeki. "Chemoselective Cleavage of Si-C(sp3) Bonds in Unactivated Tetraalkylsilanes Using Iodine Tris(trifluoroacetate)". supporting information. p. 103 - 108. Retrieved 2021/01/13.