Dihydroconiferyl alcohol

Base Information

• Chemical Name: Dihydroconiferyl alcohol
• CAS No.: 2305-13-7
• Molecular Formula: C10H14O3
• Molecular Weight: 182.219
• Hs Code.: 29322910
• European Community (EC) Number: 680-047-7
• NSC Number: 4591
• UNII: L6399T797S
• DSSTox Substance ID: DTXSID70177612
• Nikkaji Number: J305.428D
• Wikidata: Q27106409
• Metabolomics Workbench ID: 67659
• ChEMBL ID: CHEMBL4207816
• Mol file: 2305-13-7.mol

Synonyms:dihydroconiferyl alcohol

Chemical Property of Dihydroconiferyl alcohol

Chemical Property:

• Vapor Pressure: 3.49E-05mmHg at 25°C
• Melting Point: 63-65 °C
• Refractive Index: 1.549
• Boiling Point: 339.8 °C at 760 mmHg
• PKA: 10.09±0.20(Predicted)
• Flash Point: 159.3 °C
• PSA: 49.69000
• Density: 1.148 g/cm³
• LogP: 1.32570
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(4-Hydroxy-3-methoxyphenyl)-1-propanol >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T,F,Xi
• Hazard Codes: Xn,T,F,Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CCCO)O
• Uses: 4-Hydroxy-3-methoxybenzenepropanol is a phenolic compound found in maple syrup and was examined to possess anticancer effects on proliferation, apoptosis and cell cycle arrest of human colon cells.

Technology Process of Dihydroconiferyl alcohol

There total 47 articles about Dihydroconiferyl alcohol 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: 91.0%

coniferal alcohol (458-35-5,32811-40-8,69056-21-9) → 3-Guaiacylpropanol (2305-13-7)

Guidance literature:

With ferrous ammonium sulphate hexahydrate; isopropyl β-D-thiogalactopyranoside; In aq. phosphate buffer; at 37 ℃; for 48h;

DOI:10.1002/anie.201403148

Reference yield: 77.0%

3-(4-hydroxy-3-methoxyphenyl)acrylic acid (1135-24-6,537-98-4) → 3-Guaiacylpropanol (2305-13-7)

Guidance literature:

With whole cell cultures of dichomitus albidofuscus; at 24 ℃; for 72h; Darkness; Microbiological reaction;

DOI:10.1016/j.bioorg.2021.104651

Reference yield: 69.0%

guaiacylglycerol-β-guaiacyl ether (7382-59-4) → 2-methoxy-4-n-propylphenol (2785-87-7) + 3-Guaiacylpropanol (2305-13-7) + 2-methoxy-phenol (90-05-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; zinc(II) acetate dihydrate; In methanol; at 225 ℃; under 26618.1 Torr; Catalytic behavior;

DOI:10.1039/c5gc01325a

upstream raw materials:

ethanol

ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate

coniferol

3-(4-hydroxy-3-methoxyphenyl)propionic acid

Downstream raw materials:

2-hydroxy-5-(3-hydroxy-propyl)-3-methoxy-benzaldehyde

3-(4-(allyloxy)-3-methoxyphenyl)propan-1-ol

3,4-bis-(3'-methoxy-4'-hydroxyphenyl)-3-hexene

1-oxa-6,7,10,10-tetrachlorospiro<4.5>dec-6-en-8,9-dione

Refernces

• 1、 Li, Helong,Song, Guoyong. "Paving the Way for the Lignin Hydrogenolysis Mechanism by Deuterium-Incorporated β-O-4 Mimics". . p. 12229 - 12238. Retrieved 2020.
• 2、 Zhuk, Tatyana S.,Skorobohatko, Oleksandra S.,Albuquerque, Wendell,Zorn, Holger. "Scope and limitations of biocatalytic carbonyl reduction with white-rot fungi". supporting information. . Retrieved 2021/02/02.
• 3、 Baeyens, Jan,Li, Peifeng,Ouyang, Yixuan,Sarina, Sarina,Su, Haijia,Xiao, Gang,Zhao, Yilin,Zhu, Huai-Yong. "Non-plasmonic Ni nanoparticles catalyzed visible light selective hydrogenolysis of aryl ethers in lignin under mild conditions". supporting information. p. 7780 - 7789. Retrieved 2021/10/12.