3-(2-Amino-6-quinazolinyl)-4-methylbenzoic acid

Base Information

Chemical Name:3-(2-Amino-6-quinazolinyl)-4-methylbenzoic acid
CAS No.:882670-96-4
Molecular Formula:C₁₆H₁₃N₃O₂
Molecular Weight:279.298
Hs Code.:
DSSTox Substance ID:DTXSID601240819

Synonyms:3-(2-amino-6-quinazolinyl)-4-methylbenzoic acid;882670-96-4;SCHEMBL5488850;YFAZAKNXAHJCFD-UHFFFAOYSA-N;DTXSID601240819;3-(2-Aminoquinazolin-6-yl)-4-methylbenzoic acid;3-(2-amino-6-quinazolinyl)-4-methyl-benzoic acid

Suppliers and Price of 3-(2-Amino-6-quinazolinyl)-4-methylbenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 3-(2-Amino-6-quinazolinyl)-4-methylbenzoic acid

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:279.100776666
Heavy Atom Count:21
Complexity:390

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)C(=O)O)C2=CC3=CN=C(N=C3C=C2)N

Technology Process of 3-(2-Amino-6-quinazolinyl)-4-methylbenzoic acid

There total 3 articles about 3-(2-Amino-6-quinazolinyl)-4-methylbenzoic acid 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: 70.0%

: 882670-92-0
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-quinazolin-2-amine

: 82998-57-0
3-iodo-4-toluic acid

: 882670-96-4
3-(2-amino-6-quinazolinyl)-4-methylbenzoic acid

Guidance literature:: With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate; In water; N,N-dimethyl-formamide; at 20 ℃; for 15h;
DOI:10.1021/jm0605482

Reference yield:

: 93777-26-5
5-bromo-2-fluorobenzaldehyde

: 882670-96-4
3-(2-amino-6-quinazolinyl)-4-methylbenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: NEt(i-Pr)2 / 1-methyl-pyrrolidin-2-one / 150 - 160 °C

1.2: 48 percent / 1-methyl-pyrrolidin-2-one / 150 - 160 °C

2.1: Pd₂(dba)3; (o-biphenyl)PCy₂; KOAc / dioxane / 15 h / 80 °C

3.1: 70 percent / Pd(dppf)Cl₂*CH₂Cl₂; K₂CO₃ / dimethylformamide; H₂O / 15 h / 20 °C

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; potassium acetate; potassium carbonate; N-ethyl-N,N-diisopropylamine; CyJohnPhos; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one; water; N,N-dimethyl-formamide;
DOI:10.1021/jm0605482

Reference yield:

: 190273-89-3
6-bromoquinazolin-2-ylamine

: 882670-96-4
3-(2-amino-6-quinazolinyl)-4-methylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: Pd₂(dba)3; (o-biphenyl)PCy₂; KOAc / dioxane / 15 h / 80 °C

2: 70 percent / Pd(dppf)Cl₂*CH₂Cl₂; K₂CO₃ / dimethylformamide; H₂O / 15 h / 20 °C

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; potassium acetate; potassium carbonate; CyJohnPhos; In 1,4-dioxane; water; N,N-dimethyl-formamide;
DOI:10.1021/jm0605482