6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol

Basic Information

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CAS Number

478-61-5

Molecular Formula

C37H40N2O6

Molecular Weight

608.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

198.5°C

Boiling Point

655.15°C (rough estimate)

Refractive Index

1.5300 (estimate)

Specific Rotation

D20 +114.6° (c = 1.0 in chloroform)

SMILES

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CN1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5cc(ccc5O)C[C@@H]6c7c(cc(c(c7O3)OC)OC)CCN6C)OC

InChI

InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1

InChIKey

DFOCUWZXJBAUSQ-URLMMPGGSA-N

LogP

6.85940000000001

pKa

pKa (20°): 7.33 in aq methanol

Topological Polar Surface Area

72.86000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

963

Synonyms & References

English

berbamine
Berbamine Dihydrochloride
Berbamine Hydrochloride
6,6',7-trimethoxy-2,2'-dimethylberbaman-12-ol
6,7,6'-trimethoxy-2,2'-dimethyl-berbaman-12-ol
BERBAINE
BERBAMAN-12-OL,6,6',7-TRIMETHOXY-2,2'-DIMETHYL
berberamine
E6 berbamine
[ "" ]
Berbenine
d-Berbamine
C37H40N2O6
STK801360
BBL009958
NCI60_000125
BC202968
W1165
(+)-Berbamine
V5KM4XJ0WM
TNP00325
s9141
BDBM50241654
NCI60_003398
AK167975
6078-1
Berbamine

MDL Number

MFCD11501559

FAQ

What are the physical and chemical properties of 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol (CAS: 478-61-5)?

6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol is a crystalline solid with a molecular weight of approximately 354.36 g/mol. It has limited solubility in water but is soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can react with strong bases and acids. It has a melting point of around 160-162°C and boiling point of approximately 325-327°C under reduced pressure.

How is 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol (CAS: 478-61-5) typically synthesized?

6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol is synthesized through a multi-step process involving the protection of hydroxyl groups, ring synthesis, and subsequent demethylation. Commonly, this involves the use of methylation reactions and protected intermediates. The process typically yields around 90% purity with high selectivity, and the exact method can vary based on the specific starting materials and conditions.

What industries use 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol (CAS: 478-61-5)?

6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol is primarily used in the pharmaceutical industry for the synthesis of various bioactive compounds. It also finds application in the polymer industry as a precursor for the production of advanced materials. Additionally, it can be used in the formulation of certain chemical sensors and in the development of semiconductor materials.

What precautions should be taken when handling 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol (CAS: 478-61-5)?

When handling 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.