Decahydro-isoquinoline-1-carboxylic acid

Base Information

• Chemical Name: Decahydro-isoquinoline-1-carboxylic acid
• CAS No.: 169390-26-5
• Molecular Formula: C₁₀H₁₇NO₂
• Molecular Weight: 183.25
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60411890
• Mol file: 169390-26-5.mol

Synonyms:Decahydro-isoquinoline-1-carboxylic acid;169390-26-5;Decahydroisoquinoline-1-carboxylic acid;1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxylic Acid;SCHEMBL444651;DTXSID60411890;VVWUWTAURHNLGY-UHFFFAOYSA-N;decahydroisoquinoline carboxylic acid;MFCD07367720;3-(PERFLUOROBUTYL)PROPYLIODIDE;perhydro-1-isoquinolinecarboxylic acid;AKOS006285314;EN300-762994;decahydro-isoquinoline-1-carboxylic acid, AldrichCPR

Chemical Property of Decahydro-isoquinoline-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.63E-05mmHg at 25°C
• Refractive Index: 1.499
• Boiling Point: 333.4 °C at 760 mmHg
• PKA: 2.49±0.20(Predicted)
• Flash Point: 155.4 °C
• PSA: 49.33000
• Density: 1.099 g/cm³
• LogP: 1.56810
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 183.125928785
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

DECAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)CCNC2C(=O)O

Technology Process of Decahydro-isoquinoline-1-carboxylic acid

There total 1 articles about Decahydro-isoquinoline-1-carboxylic acid 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: 48.0%

1-isoquinolinecarboxylic acid (486-73-7) → (4aR,8aR)-Decahydro-isoquinoline-1-carboxylic acid (169390-26-5)

Guidance literature:

With hydrogenchloride; hydrogen; Rh/Al₂O₃; In ethanol; at 50 ℃; for 17h; under 750 Torr;

DOI:10.1021/jm00022a009

upstream raw materials:

1-isoquinolinecarboxylic acid

Refernces