Ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate hydrochloride

Base Information

• Chemical Name: Ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate hydrochloride
• CAS No.: 1009306-52-8
• Molecular Formula: C14H15Cl2NO2
• Molecular Weight: 300.18
• Hs Code.: 2933499090
• ChEMBL ID: CHEMBL1443266
• DSSTox Substance ID: DTXSID50583277
• Mol file: 1009306-52-8.mol

Synonyms:ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate hydrochloride;1009306-52-8;3-Quinolinecarboxylic acid, 2-(chloromethyl)-4-methyl-, ethyl ester, hydrochloride (1:1);ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate;hydrochloride;MFCD07308466;MLS000771932;CHEMBL1443266;DTXSID50583277;REGID_for_CID_16196351;AKOS008965613;SB72841;AS-74298;SMR000376512;CS-0307909;EN300-10045;Ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate HCl;ethyl2-(chloromethyl)-4-methylquinoline-3-carboxylatehydrochloride;Ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate--hydrogen chloride (1/1)

Chemical Property of Ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate hydrochloride

Chemical Property:

• Melting Point: 144 °C(Solv: isopropanol (67-63-0))
• PSA: 39.19000
• LogP: 4.26070
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 299.0479841
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate hydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N=C1CCl)C.Cl

Technology Process of Ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate hydrochloride

There total 1 articles about Ethyl 2-(chloromethyl)-4-methylquinoline-3-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: 78.0%

ethyl (2-chloroaceto)acetate (638-07-3) + 2-aminoacetophenone (551-93-9) → 2-chloromethyl-4-methyl-3-quinolinecarboxylic acid ethyl ester hydrochloride (1009306-52-8)

Guidance literature:

With chloro-trimethyl-silane; In N,N-dimethyl-formamide; at 60 - 80 ℃; for 1h;

DOI:10.1055/s-2007-990869

Reference yield: 83.0%

2-chloromethyl-4-methyl-3-quinolinecarboxylic acid ethyl ester hydrochloride (1009306-52-8) + benzylamine (100-46-9) → 2-benzyl-2,3-dihydro-9-methyl-1H-pyrrolo[3,4-b]quinolin-1-one (941083-73-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 4h;

DOI:10.1055/s-2007-990869

upstream raw materials:

ethyl (2-chloroaceto)acetate

2-aminoacetophenone

Downstream raw materials:

2-benzyl-2,3-dihydro-9-methyl-1H-pyrrolo[3,4-b]quinolin-1-one