Neosperidin dihydrochalcone

Base Information

• Chemical Name: Neosperidin dihydrochalcone
• CAS No.: 20702-77-6
• Molecular Formula: C28H36O15
• Molecular Weight: 612.585
• Hs Code.: 29389090
• DSSTox Substance ID: DTXSID30860255
• ChEMBL ID: CHEMBL174778
• Mol file: 20702-77-6.mol

Synonyms:Neosperidin dihydrochalcone;Dihydrohesperetin-7-O-neohesperidoside;3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside;NHDHC;Neohesperidin DC;NHDC;MLS006011820;CHEMBL174778;SCHEMBL12749760;SCHEMBL20687088;FEMA 3811;DTXSID30860255;BCP31338;Neohesperidin dihydrochalcone - Nhdc;BBL027894;STL146393;AKOS005721011;1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one;E959;SMR004703494;VS-08612

Chemical Property of Neosperidin dihydrochalcone

Chemical Property:

• Appearance/Colour: Off-white crystals or powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 156-158 °C
• Refractive Index: 1.684
• Boiling Point: 927.1 °C at 760 mmHg
• PKA: 6.85±0.40(Predicted)
• Flash Point: 302.6 °C
• PSA: 245.29000
• Density: 1.61 g/cm³
• LogP: -1.34200
• Storage Temp.: −20°C
• Solubility.: Practically insoluble in water, freely soluble in dimethyl sulfoxide, soluble in methanol, practically insoluble in methylene chloride.
• Water Solubility.: Insoluble
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 10
• Exact Mass: 612.20542044
• Heavy Atom Count: 43
• Complexity: 882

Purity/Quality:

99% ^*data from raw suppliers

Neohesperidin Dihydrochalcone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O
• Uses: Neohesperidin dihydrochalcone hydrate, is a flavonoid sweetening agent with potent antioxidant activity. It is antioxidant agent. artificial sweetener. Preparation from Naringen, a flavanone glycoside occurring naturally in grapefruit. It is used as sweetening agent, especially in chewing gum and dentifrices. Sweetening agent, especially in chewing gum and dentifrices.

Technology Process of Neosperidin dihydrochalcone

There total 8 articles about Neosperidin dihydrochalcone 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: 97.2%

C30H42O16 → neohesperidin (20702-77-6)

Guidance literature:

With citric acid; pH=7; Reagent/catalyst; pH-value; Industrial scale;

Reference yield: 96.8%

C32H46O15 → neohesperidin (20702-77-6)

Guidance literature:

With hydrogenchloride; In water; pH=6; pH-value; Reagent/catalyst; Industrial scale;

Reference yield:

neohesperidin (13241-33-3,61303-28-4,61303-29-5,61303-30-8,61347-97-5,61348-24-1,88294-38-6,139686-38-7) → neohesperidin (20702-77-6)

Guidance literature:

Multi-step reaction with 4 steps

1: orthoformic acid triethyl ester; indium(III) chloride / 3 h / 70 °C / Industrial scale

2: sodium hydroxide; water / Industrial scale

3: platinum on activated charcoal / 5 h / 50 °C / 15001.5 Torr / Industrial scale

4: hydrogenchloride / water / pH 6 / Industrial scale

With hydrogenchloride; indium(III) chloride; platinum on activated charcoal; water; orthoformic acid triethyl ester; sodium hydroxide; In water;

upstream raw materials:

neohesperidin

Downstream raw materials:

3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxyphenyl)propan-1 -one

hesperetin dihydrochalcone-4'-β-D-glucoside

β-D-glucose

L-rhamnose

Refernces