Decahydroisoquinoline

Base Information

• Chemical Name: Decahydroisoquinoline
• CAS No.: 6329-61-9
• Molecular Formula: C₉H₁₇N
• Molecular Weight: 139.241
• Hs Code.: 2933499090
• European Community (EC) Number: 228-702-4,679-896-6
• NSC Number: 43479
• DSSTox Substance ID: DTXSID80902755
• Nikkaji Number: J206.930J
• Wikipedia: Decahydroisoquinoline
• Wikidata: Q72461571
• Mol file: 6329-61-9.mol

Synonyms:Decahydroisoquinoline;6329-61-9;Perhydroisoquinoline;Isoquinoline, decahydro-;1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;trans-Decahydroisoquinoline;EINECS 228-702-4;decahydroisochinolin;CIS-DECAHYDROISOQUINOLINE;2744-09-4;2744-08-3;NSC43479;decahydroiso-quinoline;Perhydroisoquinoline,c&t;Perhydroisoquinoline, 96%;SCHEMBL14772;DTXSID80902755;MFCD00012096;NSC 43479;NSC-43479;AKOS009031130;SB46854;TS-01817;AM20070504;CS-0204665;D2584;D5067;FT-0624481;FT-0694933;EN300-21116;A25064;D90361

Chemical Property of Decahydroisoquinoline

Chemical Property:

• Appearance/Colour: Colorless and transparent liquid
• Melting Point: 180 °C
• Refractive Index: n20/D 1.4904(lit.)
• Boiling Point: 202.5 °C at 760 mmHg
• PKA: 11.84±0.20(Predicted)
• Flash Point: 105.6 °C
• PSA: 12.03000
• Density: 0.901 g/cm³
• LogP: 2.11490
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 139.136099547
• Heavy Atom Count: 10
• Complexity: 111

Purity/Quality:

98%,99%, ^*data from raw suppliers

Decahydroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC2CNCCC2C1
• Uses: Perhydroisoquinoline has been used in the synthesis of nelfinavir mesylate.

Technology Process of Decahydroisoquinoline

There total 35 articles about Decahydroisoquinoline 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: 76.0%

→ decahydroisoquinoline (2744-08-3,2744-09-4,6329-61-9)

Guidance literature:

Reference yield: 69.4%

quinoline (91-22-5) → decahydroisoquinoline (2744-08-3,2744-09-4,6329-61-9) + 1,2,3,4-tetrahydroisoquinoline (635-46-1) + decahydroquinoline (767-92-0,10343-99-4,22160-37-8,22160-38-9,105728-23-2,115730-30-8,115730-31-9,150254-00-5,2051-28-7)

Guidance literature:

With hydrogen; In ethanol; at 100 ℃; for 1h; under 37503.8 Torr; Temperature; Catalytic behavior; Autoclave;

DOI:10.1016/j.jallcom.2020.155203

Reference yield: 32.5%

quinoline (91-22-5) → decahydroisoquinoline (2744-08-3,2744-09-4,6329-61-9) + 1,2,3,4-tetrahydroisoquinoline (635-46-1)

Guidance literature:

With hydrogen; In ethanol; at 100 ℃; for 1h; under 37503.8 Torr; Catalytic behavior; Autoclave;

DOI:10.1016/j.jallcom.2020.155203

upstream raw materials:

isoquinoline

1,2,3,4-tetrahydroisoquinoline

N-ethoxycarbonyl-cis-decahydroisoquinoline

(4aS^*,8aS^*)-1,2,3,4,4a,5,6,7,8,8a-perhydroisoquinoline-1,3-dione

Downstream raw materials:

(4aS^*,8aS^*)-1,2,3,4,4a,5,6,7,8,8a-perhydroisoquinoline

Refernces

• 1、 -. "Catalyst component, catalyst for olefin polymerization, and process for producing olefin polymer using catalyst". . . Retrieved 2012/08/29.
• 2、 Okazaki, Hiroshi,Onishi, Kiyotaka,Soeda, Mahito,Ikefuji, Yoshio,Tamura, Ryuji,Mochida, Isao. "Hydrogenation Pathway of Quinolines over Raney Nickel and Ru/C". . p. 3167 - 3174. Retrieved 2007/10/02.