1075727-00-2

Basic information

• Product Name: (1R,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-2-[3-(tert-butoxy)-3-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium benzenesulfonate
• Synonyms: (1R,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-2-[3-(tert-butoxy)-3-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium benzenesulfonate
• CAS NO: 1075727-00-2
• Molecular Formula: C₆H₅O₃S*C₂₈H₄₀NO₆
• Molecular Weight: 643.7874
• Mol File: 1075727-00-2.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (1R,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-2-[3-(tert-butoxy)-3-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium benzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: (1R,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-2-[3-(tert-butoxy)-3-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium benzenesulfonate(1075727-00-2)
• EPA Substance Registry System: (1R,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-2-[3-(tert-butoxy)-3-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium benzenesulfonate(1075727-00-2)

Safety Data

• Hazardous Substances Data: 1075727-00-2(Hazardous Substances Data)

Usage

Uses

(1R,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-2-[3-(tert-butoxy)-3-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium benzenesulfonate can be used as a pharmaceutical intermediate.

Upstream product

• 80-18-2 Methyl benzenesulfonate 
• 1075726-71-4 (1R)-1-[(3,4-dimethoxyphenyl)-methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-tert-butoxycarbonylethyl-isoquinoline oxalate 

Downstream Products

• 1075727-06-8 (1R,2R)-2-(2-carboxyethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium besylate 
• 1100676-16-1 cis-(R)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-2-[3-[(5-hydroxypentyl)oxy]-3-oxopropyl]-6,7-dimethoxy-2-methyl-isoquinolinium besylate 

Relevant articles and documents

Preparation method of cisatracurium besilate intermediate R, R'-cis-ester

The invention discloses a preparation method of cisatracurium besilate intermediate R, R'-cis-ester. The stereoconfiguration of the R, R'-cis-ester is consistent with that of a target product cisatracurium besilate, main process impurities and degradation products are basically consistent with research impurities of a target product cisatracurium besilate, a perfect quality control method is established and comprises the steps that diastereoisomers and S-isomers are controlled, the problems of chiral center formation and chiral conversion do not exist in the subsequent production process, splitting is not needed, the content of the isomers in the finished product is controlled from the source, and the chirality of the final product cisatracurium besilate is guaranteed; and when the base poison material methyl benzenesulfonate is moved forwards to the synthesis of R, R'-cis-ester, so that the residual risk in the target product is greatly reduced, and the clinical use is safer and morereliable.

PROCESS FOR PRODUCING CISATRACURIUM COMPOUNDS AND ASSOCIATED INTERMEDIATES

The present invention provides processes for producing isoquinolinium compounds, and for converting them into cisatracurium salts, e.g., cisatracurium besylate