butyl (3R)-3-hydroxybutanoate

Base Information

• Chemical Name: butyl (3R)-3-hydroxybutanoate
• CAS No.: 82578-46-9
• Molecular Formula: C₈H₁₆O₃
• Molecular Weight: 160.213
• DSSTox Substance ID: DTXSID201308178
• Nikkaji Number: J1.335.876A
• Mol file: 82578-46-9.mol

Synonyms:butyl (3R)-3-hydroxybutanoate;SCHEMBL13147735;DTXSID201308178

Chemical Property of butyl (3R)-3-hydroxybutanoate

Chemical Property:

• Melting Point: 49-50 °C(lit.)
• PSA: 57.53000
• LogP: -0.15810
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

(3R)-3-HYDROXY-BUTYL ESTER BUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 36/37/38:
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CC(C)O
• Isomeric SMILES: CCCCOC(=O)C[C@@H](C)O

Technology Process of butyl (3R)-3-hydroxybutanoate

There total 5 articles about butyl (3R)-3-hydroxybutanoate 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: 79.0%

butyl acetoacetate (591-60-6) → (S)-3-Hydroxybutansaeurebutylester (61597-99-7) + (R)-3-Hydroxybutansaeurebutylester (82578-46-9)

Guidance literature:

With cyanobacterium Synechocystis sp. PCC 6803 Williams strain, cultivated at 25 °C with fluorescent lamp about 10 days; In water; dimethyl sulfoxide; at 25 ℃; for 24h; Irradiation;

DOI:10.1016/j.tetlet.2020.151973

Reference yield: 50.0%

butyl acetoacetate (591-60-6) → 3-Hydroxy-butyric acid butyl ester (53605-94-0,61597-99-7,82578-46-9)

Guidance literature:

With Sucrose; In water; Baker's yeast;

DOI:10.1016/0040-4039(90)80031-G

Reference yield: 27.0%

(R)-3-hydroxybutyric acid (625-72-9,26063-00-3,29435-48-1) + butan-1-ol (71-36-3) → (R)-3-Hydroxybutansaeurebutylester (82578-46-9)

Guidance literature:

With Candida antarctica B lipase; In 2,2,4-trimethylpentane; at 40 ℃; for 24h; Enzymatic reaction;

DOI:10.1016/j.molcatb.2011.03.004

upstream raw materials:

butyl acetoacetate

1-bromo-butane

(R)-3-hydroxybutyric acid

butan-1-ol