96687-52-4

Basic information

• Product Name: (1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-dioxalate
• Synonyms: Cis-AB oxalate;Intermediate of Cisatracurium Besylate;(1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-dioxalate;(R*,R*)-(-)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoic acid 1,5-pentanediyl ester ethanedioate (1:2);R-Condensate Oxalic Acid;1-[(3,4-dimethoxyphenyl)methyl]-;2(1H)-Isoquinolinepropanoic acid;3,4-dihydro-6,7-dimethoxy-, 1,5-pentanediyl ester
• CAS NO: 96687-52-4
• Molecular Formula: 2C₂H₂O₄*C₅₁H₆₆N₂O₁₂
• Molecular Weight: 1079.15
• EINECS: 1312995-182-4
• Mol File: 96687-52-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 916.8 °C at 760 mmHg
• Flash Point: 508.3 °C
• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: (1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-dioxalate(CAS DataBase Reference)
• NIST Chemistry Reference: (1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-dioxalate(96687-52-4)
• EPA Substance Registry System: (1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-dioxalate(96687-52-4)

Safety Data

• Hazardous Substances Data: 96687-52-4(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 96687-52-4 differently. You can refer to the following data:
1. (R,R)-N,N'-Didemethyl Atracurium Oxalate is a derivative of Atricurium, a neuromuscular blocking agent.
2. UV stabilizer
3. (R,R)-N,N''-Didemethyl Atracurium Oxalate is a derivative of Atricurium (A794500), a neuromuscular blocking agent.

Upstream product

• 36840-85-4 pentamethylene 1,5-diacrylate 
• 876290-45-8 (R)-tetrahydropapaverine-N-acetyl-D-leucine salt 
• 144-62-7 oxalic acid 
• 108-24-7 acetic anhydride 
• 50343-50-5 pentane-1,5-diyl bis(3-chloropropanoate) 
• 13074-31-2 Tetrahydropapaverine 
• 6429-04-5 1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride 
• 141109-12-8 (R)-tetrahydropapaverine N-acetyl-L-leucine salt 
• 111-29-5 1 ,5-pentanediol 
• 1075726-71-4 (1R)-1-[(3,4-dimethoxyphenyl)-methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-tert-butoxycarbonylethyl-isoquinoline oxalate 
• 120-20-7 2-(3,4-dimethoxyphenyl)-ethylamine 
• 6957-27-3 3,4-dihydropapaverine 
• 139-76-4 N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide 
• 93-40-3 (3,4-Dimethoxyphenyl)acetic acid 

Downstream Products

• 64228-81-5 cisatracurium besylate 
• 64229-25-0 C₅₀H₆₆N₂O₁₂⁽²⁺⁾*2CH₃O₃S^(1-) 
• 64493-21-6 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2I^(1-) 
• 64264-68-2 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2C₇H₇O₃S^(1-) 
• 64228-82-6 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2C₁₀H₇O₃S^(1-) 
• 64228-83-7 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2C₁₀H₇O₃S^(1-) 
• 81165-35-7 3-[1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-propionic acid 2-{3-[1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-propionyloxy}-ethyl ester; compound with oxalic acid 
• 64228-80-4 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2CH₃O₃S^(1-) 
• 64228-81-5 atracurium besylate 

Relevant articles and documents

Preparation method of cisatracurium besilate intermediate

The invention discloses a preparation method of a cisatracurium besilate intermediate. The method comprises the following steps: adding an alkali into a compound III for dissociation, reacting with tert-butyl acrylate under the catalysis of acetic acid, and adding oxalic acid for salifying to obtain a compound shown as formula VI; adding an alkali into the compound VI for dissociation; salifyingin the presence of excessive benzenesulfonic acid, then hydrolyzing tert-butyl ester in an obtained product into carboxylic acid under heating conditions to obtain a compound as shown in formula VII,then performing esterification reaction with 1, 5-pentanediol in situ to generate an esterification product, washing the excessive compound as shown in formula VII with water, adding an alkali for alkalization, and salifying with oxalic acid to obtain an intermediate as shown in formula IV. The obtained finished product is high in yield and high in purity, the finished product can be directly added into a last step of reaction of cisatracurium besilate without refining to finally prepare cisatracurium besilate, after-treatment is simple, and industrial production is easy.

NOVEL PROCESS FOR THE PREPARATION OF CISATRACURIUM BESYLATE

The present invention is related to a novel process for the preparation of cisatracurium besylate, more particularly optically and geometrically pure cisatracurium besylate in large scale.