Carnegine Hydrochloride

Base Information

• Chemical Name: Carnegine Hydrochloride
• CAS No.: 5852-92-6
• Deprecated CAS: 6266-98-4
• Molecular Formula: C₁₃H₁₉NO₂*ClH
• Molecular Weight: 257.76
• Hs Code.: 29334990
• NSC Number: 36664
• UNII: V677TLE007
• Wikidata: Q27291583
• Mol file: 5852-92-6.mol

Synonyms:Carnegine Hydrochloride;5852-92-6;NSC-36664;(+/-)-Carnegine hydrochloride;1,2-DIMETHYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE hydrochloride;Carnegine, hydrochloride;UNII-V677TLE007;V677TLE007;6,7-Dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride;6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline;hydrochloride;NSC 36664;Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, hydrochloride (1:1);6266-98-4;APATITETTCP,MONOCLINIC;NSC36664;AKOS004902021;FT-0676090;Q27291583;6,7-Dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolinehydrochloride;Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, hydrochloride, (.+.)-

Chemical Property of Carnegine Hydrochloride

Chemical Property:

• Vapor Pressure: 0.00102mmHg at 25°C
• Melting Point: 210-215 °C
• Boiling Point: 302 °C at 760 mmHg
• Flash Point: 100.9 °C
• PSA: 21.70000
• LogP: 2.99260
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 257.1182566
• Heavy Atom Count: 17
• Complexity: 234

Purity/Quality:

98%Min ^*data from raw suppliers

Carnegine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC(=C(C=C2CCN1C)OC)OC.Cl

Technology Process of Carnegine Hydrochloride

There total 2 articles about Carnegine Hydrochloride 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: 97.0%

1-methyl-6,7-dimethoxy-2-methyl-3,4-dihydro-isoquinolinium iodide (17104-28-8) → 1,2-dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (5852-92-6,6266-98-4)

Guidance literature:

1-methyl-6,7-dimethoxy-2-methyl-3,4-dihydro-isoquinolinium iodide; With sodium tetrahydroborate; In methanol; for 2h;

With hydrogenchloride; In methanol; Further stages.;

DOI:10.1016/j.phytochem.2005.10.007

Reference yield:

6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline (4721-98-6) → 1,2-dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (5852-92-6,6266-98-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 75 percent / methanol; acetone / 0.5 h / Heating

2.1: NaBH₄ / methanol / 2 h

2.2: 97 percent / aq. HCl / methanol

With sodium tetrahydroborate; In methanol; acetone;

DOI:10.1016/j.phytochem.2005.10.007

upstream raw materials:

1-methyl-6,7-dimethoxy-2-methyl-3,4-dihydro-isoquinolinium iodide

6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline

Refernces