BRUCINE

Synonyms. Brucine; (-)-Brucine; 10,11-Dimethoxystrychnine; 10,11-Dimethystrychnine; 2,3-Dimethoxy-strychnine; 2,3-Dimethoxystrychnidin-10-one; 2,3-Dimethoxystrychnine; Brucin; Brucina; Brucinum; Bruzin; Dimethoxy strychnine; (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-Dimethoxy- 4a,5,5a,7,8, 13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo [3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h] quinoline- 14-one;

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PRODUCT IDENTIFICATION

CAS RN

357-57-3

EINECS RN

206-614-7

FORMULA

 C23H26N2O4

MOLE WEIGHT

394.46

H.S CODE

 3822.0020.99

SMILES

 COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5 )OC

CLASSIFICATION

Alkaloid, Bitter compound, Convulsant, Phenol ether, Glycine receptor antagonist

EXTRA NOTES

Alkaloid, used as a resolving agent for racemic acids. Normally, high yield and enantiomeric excess of one enantiomer is obtained. Other enantiomer must be isolated from the mother liquors as brucine is available as only one antipode.
Some secondary benzylic alcohols have been resolved by complexation with brucine. More commonly, the hemisuccinate ester is formed and resolved with brucine, then the alcohol is liberated by alkaline hydrolysis.
Other RN: 54193-32-7, 70206-61-0; 101324-32-7, 1087723-67-8, 1195340-33-0, 1195623-19-8, 193198-03-7

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE.

white to off-white crystalline powder

MELTING POINT

178 C

BOILING POINT

 

DENSITY

 

SOLUBILITY IN WATER

3200 mg/l

SOLVENT SOLUBILITY

Soluble in alcohol, chloroform and benzene slightly soluble in ether, glycerol and ethyl acetate

VAPOR DENSITY

 

log P(octanol-water)

 0.98

VAPOR PRESSURE

 3.13E-10 mmHg

AUTOIGNITION TEMP

  
pK

8.28

REFRACTIVE INDEX

 

FLASH POINT

 

 

STABILITY AND REACTIVITY
STABILITY  

INCOMPATIBLE MATERIALS

 

POLYMERIZATION

 

NFPA RATINGS

 

 

EXTERNAL LINKS & GENERAL DESCRIPTION

USA.gov - Brucine

Wikipedia Linking - Brucine

Google Scholar Search - Brucine

U.S. National Library of Medicine - Brucine

PubChem Compound Summary - Brucine

IPCS INCHEM -  Brucine

Drug Bank -  Brucine

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  Brucine

ChEBI (http://www.ebi.ac.uk/chebi/) -  Brucine

NCBI (http://www.ncbi.nlm.nih.gov/) -  Brucine

Material Safety Data Sheet - Brucine

Hazardous Substances Data Bank - Brucine

EPA - Substance Registry Services - Brucine

 

SALES SPECIFICATION

APPEARANCE

white to off-white crystalline powder

ASSAY

99% min

MELTING POINT

175 ~ 178 C

OPTICAL ACTIVITY

-117° ~ -119° (c=2.5, chloroform)

GRADE

Anhydrous

 

TRANSPORT & REGULATORY INFORMATION

UN NO.

1570

HAZARD CLASS

6.1

PACKING GROUP I

 

SAFETY INFORMATION

HAZARD OVERVIEW

 

SIGNAL WORD Danger

PICTOGRAMS

HAZARD STATEMENTS

H300-H330-H412

P STATEMENTS

P260-P264-P273-P284-P301 + P310-P310

EC DIRECTIVES

 

HAZARD CODES

T+

RISK PHRASES

26/28-52/53

SAFETY PHRASES

13-45-61

 

PACKING

Preserve in light-resistant and well-closed containers

PRICE

U$800.- for 1kg via courier to door