exo-Bornyl butyrate

Base Information

• Chemical Name: exo-Bornyl butyrate
• CAS No.: 58479-55-3
• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.343
• DSSTox Substance ID: DTXSID30974023
• Mol file: 58479-55-3.mol

Synonyms:exo-Bornyl butyrate;[(1R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] butanoate;EINECS 261-281-5;DTXSID30974023;4,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl butanoate

Chemical Property of exo-Bornyl butyrate

Chemical Property:

• Vapor Pressure: 0.0177mmHg at 25°C
• Refractive Index: 1.479
• Boiling Point: 254°C at 760mmHg
• Flash Point: 110.9°C
• PSA: 26.30000
• Density: 0.98 g/cm³
• LogP: 3.54450
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 224.177630004
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

ISOBORNYL BUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1CC2(CCC1C2(C)C)C
• Isomeric SMILES: CCCC(=O)OC1CC2(CC[C@@H]1C2(C)C)C

Technology Process of exo-Bornyl butyrate

There total 1 articles about exo-Bornyl butyrate 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:

isoborneol (24393-70-2) + butyryl chloride (141-75-3) → isobornyl butyrate (13109-70-1,58479-55-3,74183-26-9,85551-27-5,107910-89-4,141316-67-8)

Guidance literature:

With dmap; In dichloromethane;

DOI:10.1002/cbic.202100187

Reference yield:

isobornyl butyrate (13109-70-1,58479-55-3,74183-26-9,85551-27-5,107910-89-4,141316-67-8) → borneol (464-43-7,464-45-9,507-70-0,6627-72-1,10334-13-1,10385-78-1,24393-70-2,124-76-5,16725-71-6) + isoborneol (124-76-5,464-43-7,464-45-9,507-70-0,6627-72-1,10334-13-1,10385-78-1,16725-71-6,24393-70-2) + (1R,2R,4R)-(-)-isobornyl butyrate (107910-89-4) + isobornyl butyrate

Guidance literature:

With esterase from porcine liver; In aq. phosphate buffer; at 30 ℃; for 24h; pH=7.5; Reagent/catalyst; Resolution of racemate; Enzymatic reaction;

DOI:10.1002/cbic.202100187

Reference yield:

isobornyl butyrate (13109-70-1,58479-55-3,74183-26-9,85551-27-5,107910-89-4,141316-67-8) → borneol (464-43-7,464-45-9,507-70-0,6627-72-1,10334-13-1,10385-78-1,24393-70-2,124-76-5,16725-71-6) + (1R,2R,4R)-(-)-isobornyl butyrate (107910-89-4) + isobornyl butyrate

Guidance literature:

With cephalosporin esterase B from Burkholderia gladioli NK₇₀ mutant; In aq. phosphate buffer; at 30 ℃; for 24h; pH=7.5; Reagent/catalyst; Resolution of racemate; Enzymatic reaction;

DOI:10.1002/cbic.202100187

upstream raw materials:

isoborneol

butyryl chloride

Downstream raw materials:

borneol

isoborneol

(1R,2R,4R)-(-)-isobornyl butyrate

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