CAS No.80154-34-3,Helicid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80154-34-3
Name:	Helicid
Article Data:	2

Formula:	C₁₃H₁₆O₇
Molecular Weight:	284.266
Synonyms:	Helicide;Helicidum;
EINECS:	1592732-453-0
Density:	1.51 g/cm³
Melting Point:	199-200 °C
Boiling Point:	559.9 °C at 760 mmHg
Flash Point:	215.7 °C
Solubility:	Soluble in hot water. Slightly soluble in water, ethanol or carbinol. Insoluble in aether or chloroform.
PSA:	116.45000
LogP:	-1.32220

Synthetic route

: C13H16O7*C5H9NO2

: 80154-34-3
formaldehydephenlyl-O-β-D-pyranosyl alloside

Conditions

Conditions	Yield
In tetrahydrofuran at 50℃; for 24h;

: 4257-94-7
β-D-allose pentaacetate

: 80154-34-3
formaldehydephenlyl-O-β-D-pyranosyl alloside

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine; boron trifluoride diethyl etherate / dichloromethane / 10 h / 0 - 50 °C 2: sodium methylate; methanol / 5 h / 80 °C View Scheme

: 936574-32-2
4-formylphenyl (2,3,4,6-tetra-O-acetyl)-β-D-allopyranoside

: 80154-34-3
formaldehydephenlyl-O-β-D-pyranosyl alloside

Conditions

Conditions	Yield
With methanol; sodium methylate at 80℃; for 5h;

: 108-24-7
acetic anhydride

: 80154-34-3
formaldehydephenlyl-O-β-D-pyranosyl alloside

: 936574-32-2
4-formylphenyl (2,3,4,6-tetra-O-acetyl)-β-D-allopyranoside

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 0 - 20℃; for 14h;	96%
With triethylamine In N,N-dimethyl-formamide at 20℃; for 2h; Cooling with ice;	96%
With triethylamine In N,N-dimethyl-formamide at 20℃; Cooling with ice;	94%

: 67-52-7
BARBITURIC ACID

: 80154-34-3
formaldehydephenlyl-O-β-D-pyranosyl alloside

: 950768-57-7
5-[4-(β-D-allopyranosyloxy)benzylidene]-barbituric acid

Conditions

Conditions	Yield
In ethanol at 80℃; for 2h;	95%

: 403-42-9
1-(4-fluorophenyl)ethanone

: 80154-34-3
formaldehydephenlyl-O-β-D-pyranosyl alloside

: 1089671-19-1
(E)-3-(4-β-D-allopyranosyloxyphenyl)-1-(4-fluorophenyl)-propenone

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water Cooling with ice;	86%
With sodium hydroxide In ethanol; water Claisen Schmidt condensation; Cooling with ice;	65%

: 141-97-9
ethyl acetoacetate

: 80154-34-3
formaldehydephenlyl-O-β-D-pyranosyl alloside

: 1320347-09-8
2,6-dimethyl-3,5-dicarboethoxy-4-(4-β-D-allopyranosyloxyphenyl)-1,4-dihydropyridine

Conditions

Conditions	Yield
With ammonium acetate at 80℃; for 4.5h; Hantzsch reaction;	82%

: 80154-34-3
formaldehydephenlyl-O-β-D-pyranosyl alloside

: 123-54-6
acetylacetone

: 1320347-10-1
2,6-dimethyl-3,5-dicarbomethyl-4-(4-β-D-allopyranosyloxyphenyl)-1,4-dihydropyridine

Conditions

Conditions	Yield
With ammonium acetate at 80℃; for 4.5h; Hantzsch reaction;	82%

: 504-17-6
4,6-dihydroxy-2-mercaptopyrimidine

: 80154-34-3
formaldehydephenlyl-O-β-D-pyranosyl alloside

: 950768-59-9
5-[4-(β-D-allopyranosyloxy)benzylidene]-2-thiobarbituric acid

Conditions

Conditions	Yield
In ethanol at 80℃; for 2h;	81%

: 504-02-9
1,3-cylohexanedione

: 105-45-3
acetoacetic acid methyl ester

: 80154-34-3
formaldehydephenlyl-O-β-D-pyranosyl alloside

: 1320347-13-4
2-methyl-3-carbomethoxy-4-(4-β-D-allopyranosyloxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline

Conditions

Conditions	Yield
With ammonium acetate at 80℃; for 4h; Hantzsch reaction; Sonication;	81%

...Expand

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Chemistry

Product Name: Benzaldehyde, 4-(b-D-allopyranosyloxy)- (CAS NO.80154-34-3)

Molecular Formula: C₁₃H₁₆O₇
Molecular Weight: 284.26g/mol
Mol File: 80154-34-3.mol
Melting Point: 199-200°C
Index of Refraction: 1.65
Molar Refractivity: 68.71 cm³
Molar Volume: 188.1 cm³
Surface Tension: 68.9 dyne/cm
Density: 1.51 g/cm³
Flash Point: 215.7 °C
Enthalpy of Vaporization: 88.63 kJ/mol
Boiling Point: 559.9 °C at 760 mmHg
Vapour Pressure: 2.26E-13 mmHg at 25°C
XLogP3-AA: -0.9
H-Bond Donor: 4
H-Bond Acceptor: 7
Structure Descriptors of Benzaldehyde, 4-(b-D-allopyranosyloxy)- (CAS NO.80154-34-3):
IUPAC Name: 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
Canonical SMILES: C1=CC(=CC=C1C=O)OC2C(C(C(C(O2)CO)O)O)O
InChI: InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2
InChIKey: OLZAGZCCJJBKNZ-UHFFFAOYSA-N
Product Categories: Miscellaneous Natural Products; Allose; Biochemistry; Glycosides; Sugars; Natural Plant Extract

Specification

Benzaldehyde, 4-(b-D-allopyranosyloxy)- , its CAS NO. is 80154-34-3, the synonyms are Helicid ; 4-(beta-D-allopyranosyloxy)-benzaldehyde .