Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate Hydrochloride

Base Information

• Chemical Name: Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate Hydrochloride
• CAS No.: 78348-26-2
• Molecular Formula: C₁₁H₁₃NO₂*ClH
• Molecular Weight: 227.691
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID90372647
• Mol file: 78348-26-2.mol

Synonyms:78348-26-2;Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate Hydrochloride;1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER HCL;methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride;Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate, HCl;methyl 1,2,3,4-tetrahydroquinolin-2-carboxylate hydrochloride;SCHEMBL5424922;DTXSID90372647;GZCFAFBVBOGXRN-UHFFFAOYSA-N;CCG-54315;MFCD02180877;AKOS015963230;AC-19565;AS-39151;CS-0172514;FT-0628352;A915087;SR-01000643420-1;METHYL1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLATEHYDROCHLORIDE;1,2,3,4-tetrahydroquinoline-2-carboxylic acid methyl ester hydrochloride

Chemical Property of Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate Hydrochloride

Chemical Property:

• Vapor Pressure: 0.000449mmHg at 25°C
• Melting Point: 170 °C
• Boiling Point: 315°C at 760 mmHg
• Flash Point: 144.3°C
• PSA: 38.33000
• LogP: 2.52630
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.0713064
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

1,2,3,4-Tetrahydroquinoline-2-carboxylicAcidMethylEsterHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC2=CC=CC=C2N1.Cl
• Uses: 1,2,3,4-Tetrahydroquinoline-2-carboxylic Acid Methyl Ester Hydrochloride is a useful chemical for research.

Technology Process of Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate Hydrochloride

There total 4 articles about Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate 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: 92.0%

methyl quinoline-2-carboxylate hydrochloride (135709-62-5) → 1,2,3,4-tetrahydroquinoline-2-carboxylic acid methyl ester hydrochloride (78348-26-2)

Guidance literature:

With hydrogenchloride; hydrogen; platinum(IV) oxide; for 8h; under 775.7 Torr;

DOI:10.1021/jm00112a042

Reference yield:

quinoline-2-carboxylic acid (93-10-7,1199266-78-8) → 1,2,3,4-tetrahydroquinoline-2-carboxylic acid methyl ester hydrochloride (78348-26-2)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / Heating

2: 92 percent / H₂, 20percent methanolic HCl / PtO₂ / 8 h / 775.7 Torr

With hydrogenchloride; thionyl chloride; hydrogen; platinum(IV) oxide;

DOI:10.1021/jm00112a042

Reference yield:

methanol (67-56-1) + quinoline-2-carboxylic acid (93-10-7,1199266-78-8) → 1,2,3,4-tetrahydroquinoline-2-carboxylic acid methyl ester hydrochloride (78348-26-2)

Guidance literature:

With thionyl chloride; hydrogen; platinum(IV) oxide; Yield given. Multistep reaction; 1.) RT, 1 atm, 2.) RT, overnight;

DOI:10.1021/jm00049a015

upstream raw materials:

methyl quinoline-2-carboxylate hydrochloride

methanol

quinoline-2-carboxylic acid

Downstream raw materials:

(4aR)-3-[[2-(4-chlorophenyl)phenyl]methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-8-carboxylic acid hydrochloride

1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester

methyl (2S)-1,2,3,4-tetrahydroquinoline-2-carboxylate

methyl (2R)-1,2,3,4-tetrahydroquinoline-2-carboxylate

Refernces

• 1、 Nagata, Ryu,Tanno, Norihiko,Kodo, Toru,Ae, Nobuyuki,Yamaguchi, Hiroshi,et al.. "Tricyclic Quinoxalinediones: 5,6-Dihydro-1H-pyrroloquinoxaline-2,3-diones and 6,7-Dihydro-1H,5H-pyridoquinoxaline-2,3-diones as Potent Antagonists for the Glycine Binding Site of the NMDA Receptor". . p. 3956 - 3968. Retrieved 2007/10/02.