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

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

Uses

Used in Pharmaceutical Applications:
Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate is used as a potential pharmaceutical agent for its versatile interactions within biological systems. The presence of the isoquinoline backbone and methoxy groups may allow for targeted effects on specific biological pathways or receptors.
Used in Chemical Research:
In the field of chemical research, pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate is used as a subject of study for its unique chemical properties. The dioxalate component may provide insights into the stabilization or reactivity of complex compounds, contributing to the development of new materials or processes.
Used in Material Science:
Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate is used as a component in the development of new materials, potentially due to its complex structure and the presence of the dioxalic acid. This may lead to the creation of novel materials with unique properties for various applications.

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

• 36840-85-4 pentamethylene 1,5-diacrylate 
• 6429-04-5 1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride 
• 139-76-4 N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide 
• 6957-27-3 3,4-dihydropapaverine 
• 50343-50-5 pentane-1,5-diyl bis(3-chloropropanoate) 
• 144-62-7 oxalic acid 
• 13074-31-2 Tetrahydropapaverine 
• 876290-45-8 (R)-tetrahydropapaverine-N-acetyl-D-leucine salt 
• 108-24-7 acetic anhydride 
• 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 
• 93-40-3 (3,4-Dimethoxyphenyl)acetic acid 

Downstream Products

• 64228-80-4 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2CH₃O₃S^(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 
• 64228-83-7 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2C₁₀H₇O₃S^(1-) 
• 64228-82-6 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2C₁₀H₇O₃S^(1-) 
• 64228-81-5 atracurium besylate 
• 64229-25-0 C₅₀H₆₆N₂O₁₂⁽²⁺⁾*2CH₃O₃S^(1-) 
• 64228-81-5 cisatracurium besylate 
• 64493-21-6 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2I^(1-) 
• 64264-68-2 C₅₃H₇₂N₂O₁₂⁽²⁺⁾*2C₇H₇O₃S^(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.

AN IMPROVED PROCESS FOR THE PREPARATION OF TETRAHYDROISOQUINOLINE COMPOUNDS

The present invention discloses an improved process for preparation of substantially pure pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7- dimethoxy-1H-isoquinoline-2-propionate), a compound of formula I and its acid addition salts in good yields. Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4- dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate) or its acid addition salts is the key intermediate for the synthesis of a non-depolarizing neuromuscular-blocking drugs. The process can also be used for the synthesis of various tetrahydroisoquinoline derivatives.

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.