butyl 2-amino-4-oxo-1,4,5,6,7,8-hexahydroquinazoline-6-carboxylate

Base Information

• Chemical Name: butyl 2-amino-4-oxo-1,4,5,6,7,8-hexahydroquinazoline-6-carboxylate
• CAS No.: 5446-29-7
• Molecular Formula: C₁₃H₁₉N₃O₃
• Molecular Weight: 265.312
• Mol file: 5446-29-7.mol

Synonyms:6-Quinazolinecarboxylicacid, 2-amino-1,4,5,6,7,8-hexahydro-4-oxo-, butyl ester (9CI);6-Quinazolinecarboxylic acid, 2-amino-5,6,7,8-tetrahydro-4-hydroxy-, butylester (6CI,8CI); NSC 17198

Chemical Property of butyl 2-amino-4-oxo-1,4,5,6,7,8-hexahydroquinazoline-6-carboxylate

Chemical Property:

• Vapor Pressure: 2.64E-07mmHg at 25°C
• Boiling Point: 421.2°C at 760 mmHg
• Flash Point: 208.6°C
• Density: 1.38g/cm³

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of butyl 2-amino-4-oxo-1,4,5,6,7,8-hexahydroquinazoline-6-carboxylate

There total 2 articles about butyl 2-amino-4-oxo-1,4,5,6,7,8-hexahydroquinazoline-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:

4-oxo-cyclohexane-1,3-dicarboxylic acid dimethyl ester (103505-09-5) → 2-amino-6-carbo-n-butoxy-4-hydroxy-5,6,7,8-tetrahydroquinazoline (5446-29-7)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol; sodium methylate

2: toluene-4-sulfonic acid-hydrate

With methanol; sodium methylate; toluene-4-sulfonic acid;

DOI:10.1021/ja01554a047

Reference yield:

2-amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazoline-6-carboxylic acid (5429-55-0) + butan-1-ol (71-36-3) → 2-amino-6-carbo-n-butoxy-4-hydroxy-5,6,7,8-tetrahydroquinazoline (5446-29-7)

Guidance literature:

With toluene-4-sulfonic acid;

DOI:10.1021/ja01554a047

Reference yield:

2-amino-6-carbo-n-butoxy-4-hydroxy-5,6,7,8-tetrahydroquinazoline (5446-29-7) → 5,8-dideaza-5,6,7,8-tetrahydrofolic acid (94961-89-4)

Guidance literature:

Multi-step reaction with 4 steps

1: 5.74 g / CF₃COOH / 7 h

2: 982 mg / lithium triethylborohydride / tetrahydrofuran / 2 h

3: 3.5 g / 49percent aq. HBr / 4 h / Heating

4: MgO / N,N-dimethyl-acetamide / 18 h / 125 - 135 °C

With hydrogen bromide; magnesium oxide; lithium triethylborohydride; trifluoroacetic acid; In tetrahydrofuran; N,N-dimethyl acetamide;

DOI:10.1021/jm00390a025

upstream raw materials:

2-amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazoline-6-carboxylic acid

butan-1-ol

4-oxo-cyclohexane-1,3-dicarboxylic acid dimethyl ester

Downstream raw materials:

2-amino-6-hydroxymethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazoline-6-carboxylic acid hydrazide

4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-amino]-benzoic acid

4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-methyl-amino]-benzoic acid