Methyl 4-chloroquinazoline-6-carboxylate

Base Information

• Chemical Name: Methyl 4-chloroquinazoline-6-carboxylate
• CAS No.: 152536-17-9
• Molecular Formula: C10H7ClN2O2
• Molecular Weight: 222.631
• Hs Code.: 2933990090
• European Community (EC) Number: 868-738-3
• DSSTox Substance ID: DTXSID40596533
• Wikidata: Q72489447
• Mol file: 152536-17-9.mol

Synonyms:methyl 4-chloroquinazoline-6-carboxylate;152536-17-9;6-Quinazolinecarboxylic acid, 4-chloro-, methyl ester;MFCD10566719;SCHEMBL496982;6-Quinazolinecarboxylic acid,4-chloro-,methyl ester;DTXSID40596533;ZFTPRYBXJRWOHZ-UHFFFAOYSA-N;4-Chloro-6-carbomethoxyquinazoline;CGA53617;AKOS015851258;PB22407;methyl-4-chloroquinazoline-6-carboxylate;Methyl 4-chloro-quinazoline-6-carboxylate;SY036301;TS-03180;CS-0049040;A18237;EN300-6729133;W-205729;Z1509664203

Chemical Property of Methyl 4-chloroquinazoline-6-carboxylate

Chemical Property:

• Vapor Pressure: 3.11E-05mmHg at 25°C
• Refractive Index: 1.631
• Boiling Point: 355.5 °C at 760 mmHg
• PKA: 0.11±0.30(Predicted)
• Flash Point: 168.8 °C
• PSA: 52.08000
• Density: 1.392 g/cm³
• LogP: 2.06980
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.0196052
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

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

methyl4-chloroquinazoline-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=C1)N=CN=C2Cl

Technology Process of Methyl 4-chloroquinazoline-6-carboxylate

There total 1 articles about Methyl 4-chloroquinazoline-6-carboxylate 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: 34.0%

4-oxo-3,4-dihydro-quinazoline-6-carboxylic acid methyl ester (152536-21-5) → methyl 4-chloroquinazoline-6-carboxylate (152536-17-9)

Guidance literature:

With trichlorophosphate; for 7h; Heating / reflux;

Reference yield: 80.0%

methyl 4-chloroquinazoline-6-carboxylate (152536-17-9) + hydrochloric salt of m-aminophenylacetylene (207226-02-6) → (6-Carbomethoxyquinazolin-4-yl)-(3-ethynylphenyl)-amine hydrochloride

Guidance literature:

In tert-butyl alcohol; for 2h; Reflux;

Reference yield: 66.0%

methyl 4-chloroquinazoline-6-carboxylate (152536-17-9) → 4-chloro-quinzoline-6-yl methanol (648449-06-3)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -25 - 20 ℃; for 2h;

upstream raw materials:

4-oxo-3,4-dihydro-quinazoline-6-carboxylic acid methyl ester

Downstream raw materials:

4-chloro-quinzoline-6-yl methanol

Refernces

• 1、 -. "AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES". Page 58. . Retrieved 2008/06/13.