Tetrahydrofurfuryl benzoate

Base Information

• Chemical Name: Tetrahydrofurfuryl benzoate
• CAS No.: 2217-32-5
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• Hs Code.: 2932190090
• NSC Number: 4891
• UNII: N2PFV9X7XY
• DSSTox Substance ID: DTXSID101030853
• Nikkaji Number: J134.548F
• ChEMBL ID: CHEMBL2287523
• Mol file: 2217-32-5.mol

Synonyms:2217-32-5;TETRAHYDROFURFURYL BENZOATE;oxolan-2-ylmethyl benzoate;2-Furanmethanol, tetrahydro-, benzoate;N2PFV9X7XY;(tetrahydrofuran-2-yl)methyl benzoate;2-Furanmethanol,tetrahydro-, 2-benzoate;NSC-4891;AI3-04567;2-benzoyloxymethyl-tetrahydro-furan;UNII-N2PFV9X7XY;2-Furanmethanol, benzoate;SCHEMBL3598235;CHEMBL2287523;NSC4891;DTXSID101030853;NSC 4891;benzoic acid tetrahydrofurfuryl ester;Benzoic acid oxolane-2-ylmethyl ester;AKOS003455657;FT-0634142;benzoic acid tetrahydro-furan-2-yl-methyl ester;FURFURYL ALCOHOL, TETRAHYDRO-, BENZOATE;2-FURANMETHANOL, TETRAHYDRO-, 2-BENZOATE

Chemical Property of Tetrahydrofurfuryl benzoate

Chemical Property:

• Vapor Pressure: 0.000684mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 308.4 °C at 760 mmHg
• Flash Point: 125.8 °C
• PSA: 35.53000
• Density: 1.126 g/cm³
• LogP: 2.02240
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

TETRAHYDROFURFURYL BENZOATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(OC1)COC(=O)C2=CC=CC=C2
• Uses: Chemical intermediate.

Technology Process of Tetrahydrofurfuryl benzoate

There total 13 articles about Tetrahydrofurfuryl 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: 97.0%

Tetrahydrofurfuryl alcohol (97-99-4) + benzoyl chloride (98-88-4) → (tetrahydrofuran-2-yl)methyl benzoate (2217-32-5)

Guidance literature:

With iron; In 1,2-dichloro-ethane; at 84 ℃; for 3h; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.11.016

Reference yield: 92.0%

Tetrahydrofurfuryl alcohol (97-99-4) + N,N-dimethylbenzamide (611-74-5) → (tetrahydrofuran-2-yl)methyl benzoate (2217-32-5)

Guidance literature:

With cerium(IV) oxide; at 175 ℃; for 36h; Inert atmosphere; Sealed tube;

DOI:10.1002/cctc.201801098

Reference yield: 91.0%

Tetrahydrofurfuryl alcohol (97-99-4) + N-benzyl-N-(tert-butoxycarbonyl)-benzamide (85909-02-0) → (tetrahydrofuran-2-yl)methyl benzoate (2217-32-5)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 20 ℃; for 24h; Molecular sieve;

upstream raw materials:

1,2,5-pentanetriol

orthobenzoic acid trimethyl ester

benzyl tetrahydrofurfuryl ether

Tetrahydrofurfuryl alcohol

Refernces

• 1、 Talukdar, Ranadeep. "IrIII-Catalyzed direct syntheses of amides and esters using nitriles as acid equivalents: A photochemical pathway". supporting information. p. 5303 - 5308. Retrieved 2020/04/17.
• 2、 -. "Preparation method for synthesizing ester compound by using N-Boc amide as raw material". Paragraph 0034; 0035. . Retrieved 2019/03/28.