1-Hexanol, 1-(tetrahydro-2-furyl)-, acetate

Base Information

• Chemical Name: 1-Hexanol, 1-(tetrahydro-2-furyl)-, acetate
• CAS No.: 67634-08-6
• Molecular Formula: C₁₂H₂₂O₃
• Molecular Weight: 214.305
• European Community (EC) Number: 266-811-9
• DSSTox Substance ID: DTXSID20867293
• Nikkaji Number: J139.678A,J2.183.558G,J2.183.576E
• Mol file: 67634-08-6.mol

Synonyms:1-Hexanol, 1-(tetrahydro-2-furyl)-, acetate;67634-08-6;1-(oxolan-2-yl)hexyl acetate;Tetrahydro-alpha-pentylfurfuryl acetate;Tetrahydrofurfuryl amylcarbinyl acetate;EINECS 266-811-9;2-Furanmethanol, tetrahydro-alpha-pentyl-, acetate;2-Furanmethanol, tetrahydro-.alpha.-pentyl-, acetate;2-Furanmethanol, tetrahydro-alpha-pentyl-, 2-acetate;SCHEMBL20471302;DTXSID20867293;tetrahydro - a - pentylfurfuryl acetate;Tetrahydro-.alpha.-pentylfurfuryl acetate;2-Furanmethanol, tetrahydro-?-pentyl-, acetate;Acetic acid 1-(tetrahydrofuran-2-yl)hexyl ester;(2R)-2beta-[(R)-1-Acetoxyhexyl]tetrahydrofuran;(2R)-2beta-[(S)-1-Acetoxyhexyl]tetrahydrofuran;2-Furanmethanol, tetrahydro-.alpha.-pentyl-, 2-acetate

Chemical Property of 1-Hexanol, 1-(tetrahydro-2-furyl)-, acetate

Chemical Property:

• Boiling Point: 283.1°Cat760mmHg
• Flash Point: 114.9°C
• PSA: 97.83000
• Density: 0.983g/cm³
• LogP: 2.39120
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C1CCCO1)OC(=O)C

Technology Process of 1-Hexanol, 1-(tetrahydro-2-furyl)-, acetate

There total 8 articles about 1-Hexanol, 1-(tetrahydro-2-furyl)-, acetate 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: 98.0%

(4S,5R)-Decane-1,4,5-triol + Trimethyl orthoacetate (1445-45-0) → 1-acetoxy-1-(2'-tetrahydrofuryl)hexane (67634-08-6,136113-73-0,136113-74-1)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/ja043002i

Reference yield: 94.0%

decane-1,4,5-triol + Trimethyl orthoacetate (1445-45-0) → 1-acetoxy-1-(2'-tetrahydrofuryl)hexane (67634-08-6,136113-73-0,136113-74-1)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/ja043002i

Reference yield:

(Z)-4-decenal (30390-50-2,65405-70-1,21662-09-9) → 1-acetoxy-1-(2'-tetrahydrofuryl)hexane (67634-08-6,136113-73-0,136113-74-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 84.6 percent / DIBAL / tetrahydrofuran; hexane / 12 h / 20 °C

2: mCPBA / CH₂Cl₂ / 12 h / 0 °C

3: Acid hydrolysis

4: pyridine / diethyl ether / 12 h

With pyridine; diisobutylaluminium hydride; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; diethyl ether; hexane; dichloromethane;

DOI:10.1021/ja043002i

upstream raw materials:

Trimethyl orthoacetate

acetic anhydride

threo-1-(2-tetrahydrofuranyl)hexan-1-ol

(Z)-4-decenal

Downstream raw materials:

(Z)-6-heneicosen-11-one