64228-78-0

Basic information

• Product Name: pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate
• Synonyms: pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate;Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate] dioxalate;Atracurium oxalate;bis[1-(3,4-diMethoxybenzyl)-3,4-dihydro-6,7-diMethoxy-1H-isoquinoline-2-propionate] dioxalate;Atracurium dioxalate
• CAS NO: 64228-78-0
• Molecular Formula: 2C₂H₂O₄*C₅₁H₆₆N₂O₁₂
• Molecular Weight: 1079.1457
• EINECS: 264-741-3
• Product Categories: API
• Mol File: 64228-78-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 916.8 °C at 760 mmHg
• Flash Point: 508.3 °C
• Appearance: /
• Vapor Pressure: 1.44E-34mmHg at 25°C
• CAS DataBase Reference: pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate(CAS DataBase Reference)
• NIST Chemistry Reference: pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate(64228-78-0)
• EPA Substance Registry System: pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate(64228-78-0)

Safety Data

• Hazardous Substances Data: 64228-78-0(Hazardous Substances Data)

Usage

General Description

"Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate" is a complex chemical compound, however the information available to the public is quite limited. Based on its chemical structure, it contains an isoquinoline backbone and several methoxy groups, suggesting potential for versatile interactions within biological systems. The pentamethylene bis component suggests that two such isoquinoline structures are connected in some manner, potentially imparting unique chemical properties and enhancing its complexity. The dioxalate likely refers to the presence of a dioxalic acid in the compound, which might be used to stabilize or enhance the reactivity of the compound. Its specific uses and characteristics are not well publicized or readily understood outside of advanced scientific research.

InChI:InChI=1/C51H66N2O12.2C2H2O4/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;2*3-1(4)2(5)6/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3;2*(H,3,4)(H,5,6)

Upstream product

• 141109-12-8 (R)-tetrahydropapaverine N-acetyl-L-leucine salt 
• 144-62-7 oxalic acid 
• 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 
• 36840-85-4 pentamethylene 1,5-diacrylate 
• 876290-45-8 (R)-tetrahydropapaverine-N-acetyl-D-leucine salt 
• 108-24-7 acetic anhydride 
• 50343-50-5 pentane-1,5-diyl bis(3-chloropropanoate) 
• 13074-31-2 Tetrahydropapaverine 
• 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 
• 6429-04-5 1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride 

Downstream Products

• 64228-81-5 cisatracurium besylate 
• 64229-25-0 C₅₀H₆₆N₂O₁₂⁽²⁺⁾*2CH₃O₃S^(1-) 
• 64493-21-6 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2I^(1-) 
• 64228-81-5 atracurium besylate 
• 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-) 

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.