CAS No.20702-77-6,Neosperidin dihydrochalcone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	20702-77-6
Name:	Neosperidin dihydrochalcone

Formula:	C₂₈H₃₆O₁₅
Molecular Weight:	612.585
Synonyms:	1-(4-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-;3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl) 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside;CCRIS 4848;Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-;NCI-C60764;Neohesperidin dhc;Nhdc;
EINECS:	243-978-6
Density:	1.61 g/cm³
Melting Point:	156-158 °C
Boiling Point:	927.1 °C at 760 mmHg
Flash Point:	302.6 °C
Solubility:	Insoluble in water
Appearance:	Off-white crystals or powder
PSA:	245.29000
LogP:	-1.34200

Synthetic route

: C30H42O16

: 20702-77-6
neohesperidin

Conditions

Conditions	Yield
With citric acid pH=7; Reagent/catalyst; pH-value; Industrial scale;	97.2%

: C32H46O15

: 20702-77-6
neohesperidin

Conditions

Conditions	Yield
With hydrogenchloride In water pH=6; pH-value; Reagent/catalyst; Industrial scale;	96.8%

: C32H44O16

: 20702-77-6
neohesperidin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium hydroxide; water / Industrial scale 2: platinum on activated charcoal / 5 h / 50 °C / 15001.5 Torr / Industrial scale 3: hydrogenchloride / water / pH 6 / Industrial scale View Scheme

: 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
neohesperidin

Conditions

Conditions	Yield
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 View Scheme
Multi-step reaction with 4 steps 1: trimethyl orthoformate; nido-decaborane / 6 h / 65 °C / Industrial scale 2: sodium carbonate; water / Industrial scale 3: hydrogen / 20 h / 35 °C / 3750.38 Torr / Industrial scale 4: citric acid / pH 7 / Industrial scale View Scheme

: C30H40O16

: 20702-77-6
neohesperidin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium carbonate; water / Industrial scale 2: hydrogen / 20 h / 35 °C / 3750.38 Torr / Industrial scale 3: citric acid / pH 7 / Industrial scale View Scheme

: C30H40O16

: 20702-77-6
neohesperidin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogen / 20 h / 35 °C / 3750.38 Torr / Industrial scale 2: citric acid / pH 7 / Industrial scale View Scheme

: 20702-77-6
neohesperidin

: C28H34(2)H2O15

Conditions

Conditions	Yield
With perchloric acid; [(2)H6]acetone; deuteromethanol at 20℃; for 72h; Inert atmosphere;	97%

: 2146-71-6
vinyl laurate

: 20702-77-6
neohesperidin

: 6''-O-lauroyl neohesperidin dihydrochalcone

Conditions

Conditions	Yield
With lipozyme TL IM from Thermomyces lanuginosus In tert-Amyl alcohol; dimethyl sulfoxide at 52℃; for 0.583333h; Flow reactor; Enzymatic reaction; regioselective reaction;	86%

: 693-38-9
vinyl palmitate

: 20702-77-6
neohesperidin

: 6''-O-palmitoyl neohesperidin dihydrochalcone

Conditions

Conditions	Yield
With lipozyme TL IM from Thermomyces lanuginosus In tert-Amyl alcohol; dimethyl sulfoxide at 52℃; for 0.583333h; Flow reactor; Enzymatic reaction; regioselective reaction;	84%

: 20702-77-6
neohesperidin

: 35400-60-3
3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxyphenyl)propan-1 -one

Conditions

Conditions	Yield
In methanol; sulfuric acid for 6h;	77%
With hydrogenchloride In ethanol; water at 95℃; for 5h;	62%
With hydrogenchloride In water at 80℃; for 2h;
With sulfuric acid In methanol for 6h; Reflux;

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Chemistry

IUPAC Name: 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
Synonyms of 1-Propanone,1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- (CAS NO.20702-77-6): 1-(4-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)- ; 1-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)2,6-dihydroxyphenyl)-3-(3-hydroxy-4-me ; 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl) 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside ; CCRIS 4848 ; EINECS 243-978-6 ; Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D- ; NCI-C60764 ; Neohesperidin dc ; Neohesperidin dhc ; Neohesperidin dihydrochalcone ; Nhdc
CAS NO: 20702-77-6
Classification Code: Mutation data
Molecular Formula of 1-Propanone,1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- (CAS NO.20702-77-6): C₂₈H₃₆O₁₅
Molecular Weight: 612.5764
Molecular Structure:

Melting Point: 156-158 °C
H bond acceptors: 15
H bond donors: 9
Freely Rotating Bonds: 19
Polar Surface Area: 146.29 Å²
Index of Refraction: 1.684
Molar Refractivity: 143.85 cm³
Molar Volume: 378.7 cm³
Surface Tension: 97.5 dyne/cm
Density of 1-Propanone,1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- (CAS NO.20702-77-6): 1.61 g/cm³
Flash Point: 302.6 °C
Enthalpy of Vaporization: 141.27 kJ/mol
Boiling Point: 927.1 °C at 760 mmHg

Uses

1-Propanone,1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- (CAS NO.20702-77-6) is used as high sweetness of non-nutritive sweeteners and flavor enhancer.

Safety Profile

WGK Germany: 3
RTECS: LZ5785000