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522-97-4

Basic Information
CAS No.: 522-97-4
Name: 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine,5,8,13,13a-tetrahydro-9,10-dimethoxy-
Article Data: 18
Cas Database
Molecular Structure:
Molecular Structure of 522-97-4 (6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine,5,8,13,13a-tetrahydro-9,10-dimethoxy-)
Formula: C20H21NO4
Molecular Weight: 339.391
Synonyms: Berberine,tetrahydro-;Canadine;NSC 94918;Tetrahydroberberine;Tetrahydroumbellatine;Xanthopuccine;
EINECS: 208-338-2
Density: 1.33 g/cm3
Melting Point: 166.5 °C
Boiling Point: 476.1 °C at 760 mmHg
Flash Point: 141.1 °C
Solubility: DMSO: >10 mg/mL, soluble
Appearance: N/A
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 36
Transport Information: N/A
PSA: 40.16000
LogP: 3.02590
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  • Tetrahydroberberine CAS No.522-97-4

  • Casno:

    522-97-4

    Tetrahydroberberine CAS No.522-97-4

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  • Canadine cas  522-97-4

  • Casno:

    522-97-4

    Canadine cas 522-97-4

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    Canadine cas 522-97-4Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • Tetrahydroberberine

  • Casno:

    522-97-4

    Tetrahydroberberine

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  • TETRAHYDROBERBERINE

  • Casno:

    522-97-4

    TETRAHYDROBERBERINE

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    High quality Storage:Store in dry, dark and ventilated place Application:Fine chemical industry

    Hangzhou Keying Chem Co., Ltd. Is a comprehensive enterprise, dedicated to the development, production and marketing of chemicals. As a technology innovative and service profession

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  • Canadine

  • Casno:

    522-97-4

    Canadine

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    Best quality with low price Storage:ln stock Package:25kg/Barrel Application:Chemicals Transportation:Express/Sea/Air Port:Shanghai

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  • Tetrahydroberberine

  • Casno:

    522-97-4

    Tetrahydroberberine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    522-97-4 Application:intermediate

    SAGECHEM is a chemical R&D, manufacturing and distribution company since 2009, including pharmaceutical intermediates, agrochemical, dyestuff intermediates, organosilicone, API and

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  • Tetrahydroberberine

  • Casno:

    522-97-4

    Tetrahydroberberine

    Min.Order: 0

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    *stable and better quality products*efficient and meticulous servicesAppearance:Powder Storage:Store in dry, cool and ventilated place Package:1kg/tin 5kg/tin 25kg/carton Application:Use in healthcare products. Use in food products. Use in Cosmetic p

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  • Canadine CAS NO.522-97-4

  • Casno:

    522-97-4

    Canadine CAS NO.522-97-4

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    Canadine CAS NO.522-97-4Appearance:detailed in specifications Storage:Keep in dry and cool place Package:according to clients requirement Application:It is an important raw material and intermediate used in Organic Synthesis,Pharmaceuticals, Agrochem

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Specification

The Canadine, with the cas registry number 522-97-4 and EINECS registry number 208-338-2, has the systematic name of 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline. It is a kind of yellow solid, and shoud be stored at 2-8°C. The molecular formula of the chemical is C20H21NO4. The chemical is harmful if swallowed, so you had better wear suitable protective clothing while you are dealing with it.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 3.77; (5)ACD/BCF (pH 5.5): 41.25; (6)ACD/BCF (pH 7.4): 420.22; (7)ACD/KOC (pH 5.5): 248.82; (8)ACD/KOC (pH 7.4): 2534.96; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.16 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 93.16 cm3; (15)Molar Volume: 253.4 cm3; (16)Polarizability: 36.93×10-24cm3; (17)Surface Tension: 59.6 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 141.1 °C; (20)Enthalpy of Vaporization: 73.98 kJ/mol; (21)Boiling Point: 476.1 °C at 760 mmHg; (22)Vapour Pressure: 3.13E-09 mmHg at 25°C.

Preparation of Canadine: This chemical can be prepared by 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolinylium; chloride. The reaction will need reagent Sodium borohydride, and the menstruum methanol. The reaction time is 15 minutes with temperature of 0°C, and the yield is about 50%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1c2c(OC1)cc3c(c2)CCN5C3Cc4ccc(OC)c(OC)c4C5
(2)InChI: InChI=1/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
(3)InChIKey: VZTUIEROBZXUFA-UHFFFAOYAL