1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-

Base Information

• Chemical Name: 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-
• CAS No.: 125503-52-8
• Molecular Formula: C₃₀H₄₄N₂O₄*2ClH
• Molecular Weight: 569.612
• DSSTox Substance ID: DTXSID30925156
• Mol file: 125503-52-8.mol

Synonyms:125503-52-8;1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-;DTXSID30925156;LS-29750;Bis[3-(1-methyloctahydrocyclopenta[b]pyrrol-2-yl)propyl] benzene-1,3-dicarboxylate--hydrogen chloride (1/2)

Chemical Property of 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-

Chemical Property:

• Vapor Pressure: 1.37E-13mmHg at 25°C
• Boiling Point: 583.2°Cat760mmHg
• Flash Point: 306.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 568.2834633
• Heavy Atom Count: 38
• Complexity: 699

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCCC2CC1CCCOC(=O)C3=CC(=CC=C3)C(=O)OCCCC4CC5CCCC5N4C.Cl.Cl
• Isomeric SMILES: CN1[C@H]2CCC[C@H]2C[C@H]1CCCOC(=O)C3=CC=CC(=C3)C(=O)OCCCC4CC5CCCC5N4C.Cl.Cl

Technology Process of 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-

There total 1 articles about 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 55.0%

3-(1-methyl-2-cyclopentapyrrolidinyl)propan-1-ol (29369-04-8,96150-19-5,125590-27-4) + benzene-1,3-dicarbonyl dichloride (99-63-8) → Isophthalic acid 1-[3-((2R,3aS)-1-methyl-octahydro-cyclopenta[b]pyrrol-2-yl)-propyl] ester 3-[3-((2R,3aS,6aS)-1-methyl-octahydro-cyclopenta[b]pyrrol-2-yl)-propyl] ester; hydrochloride (125503-52-8)

Guidance literature:

In diethyl ether;

DOI:10.1007/BF00764664

upstream raw materials:

3-(1-methyl-2-cyclopentapyrrolidinyl)propan-1-ol

benzene-1,3-dicarbonyl dichloride

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