Hinokiresinol

Base Information

• Chemical Name: Hinokiresinol
• CAS No.: 17676-24-3
• Molecular Formula: C17H16 O2
• Molecular Weight: 252.313
• Hs Code.: 2907299090
• Nikkaji Number: J16.129B,J2.786.903C
• Wikipedia: Nyasol
• Metabolomics Workbench ID: 66983
• ChEMBL ID: CHEMBL198245
• Mol file: 17676-24-3.mol

Synonyms:hinokiresinol

Chemical Property of Hinokiresinol

Chemical Property:

• Vapor Pressure: 5.59E-08mmHg at 25°C
• Boiling Point: 429.4°C at 760 mmHg
• Flash Point: 203.9°C
• PSA: 40.46000
• Density: 1.163g/cm³
• LogP: 4.08080
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 252.115029749
• Heavy Atom Count: 19
• Complexity: 294

Purity/Quality:

99% ^*data from raw suppliers

trans-Hinokiresinol ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(C=CC1=CC=C(C=C1)O)C2=CC=C(C=C2)O
• Isomeric SMILES: C=CC(/C=C/C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

Technology Process of Hinokiresinol

There total 4 articles about Hinokiresinol 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:

(3S)-4''-O-β-D-Glucopyranosylhinokiresinol → D-glucose (50-99-7) + (-)-trans-Hinokiresinol (17676-24-3,185020-38-6,96895-25-9)

Guidance literature:

With hydrogenchloride; water; at 80 ℃; for 2h;

DOI:10.1016/j.tetasy.2017.10.017

Reference yield:

(3S)-4'-O-β-D-Glucopyranosylhinokiresinol → D-glucose (50-99-7) + (-)-trans-Hinokiresinol (17676-24-3,185020-38-6,96895-25-9)

Guidance literature:

With hydrogenchloride; water; at 80 ℃; for 2h;

DOI:10.1016/j.tetasy.2017.10.017

Reference yield:

(E)-1,3-bis(4-[tetrahydro-2H-pyran-2-yloxy]phenyl)pent-4-en-1-ol (871241-98-4) → (-)-trans-Hinokiresinol (17676-24-3,185020-38-6,96895-25-9) + (+)-(7R,E)-hinokiresinol (185020-38-6,96895-25-9)

Guidance literature:

With hydrogenchloride; In methanol; for 1h; Heating;

DOI:10.1021/np0502995

upstream raw materials:

(E)-1,3-bis(4-[tetrahydro-2H-pyran-2-yloxy]phenyl)pent-4-en-1-ol

4-coumaryl 4-coumarate

Downstream raw materials:

(+)-(S)-tetrahydrohinokiresinol

Refernces

• 1、 Yamamura, Masaomi,Suzuki, Shiro,Hattori, Takefumi,Umezawa, Toshiaki. "Subunit composition of hinokiresinol synthase controls enantiomeric selectivity in hinokiresinol formation". experimental part. p. 1106 - 1110. Retrieved 2010/06/20.