6-Bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one

Base Information

• Chemical Name: 6-Bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one
• CAS No.: 112888-43-4
• Molecular Formula: C10H9BrN2O
• Molecular Weight: 253.098
• Hs Code.: 2933990090
• Mol file: 112888-43-4.mol

Synonyms:4(1H)-Quinazolinone,6-(bromomethyl)-2-methyl- (9CI);6-(Bromomethyl)-2-methylquinazolin-4(1H)-one;

Chemical Property of 6-Bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one

Chemical Property:

• Vapor Pressure: 1.37E-06mmHg at 25°C
• Melting Point: >330 °C(Solv: chloroform (67-66-3))
• Refractive Index: 1.669
• Boiling Point: 399.387 °C at 760 mmHg
• PKA: 2.21±0.20(Predicted)
• Flash Point: 195.342 °C
• PSA: 45.75000
• Density: 1.634 g/cm³
• LogP: 2.12640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

4(3H)-6-(BROMOMETHYL)-2-METHYLQUINAZOLINONE 95%-98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Raltitrexed intermediate

Technology Process of 6-Bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one

There total 10 articles about 6-Bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one 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: 77.0%

3,4-dihydro-2,6-dimethyl-4-oxoquinazoline (18731-19-6) → 4(3H)-oxo-6-(bromomethyl)-2-methyl quinazoline (112888-43-4)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In chloroform; for 3h; Heating;

DOI:10.1016/j.bmcl.2005.01.083

Reference yield:

2-Amino-5-methylbenzoic acid (2941-78-8) → 4(3H)-oxo-6-(bromomethyl)-2-methyl quinazoline (112888-43-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / 2 h / 135 - 150 °C

2: 77 percent / N-bromosuccinimide; (PhCO)2O₂ / CHCl₃ / 3 h / Heating

With N-Bromosuccinimide; dibenzoyl peroxide; In chloroform;

DOI:10.1016/j.bmcl.2005.01.083

Reference yield:

quinazolin-2-one (7471-58-1) + 3,4 dihydro-2,6 dimethylquinazolin (1082727-34-1) → 4(3H)-oxo-6-(bromomethyl)-2-methyl quinazoline (112888-43-4)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In chloroform;

upstream raw materials:

3,4-dihydro-2,6-dimethyl-4-oxoquinazoline

2-Amino-5-methylbenzoic acid

2-methyl-6-methyl-4H-3,1-benzoxazin-4-one

2-acetamido-5-methylbenzoic acid

Downstream raw materials:

diethyl N-<4--N-methylamino>benzoyl>-L-glutamate

methyl p-[ N-(3,4-dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-N-ethylamino]-o-nitrobenzoate

methyl 4--N-prop-2-ynylamino>-2-nitrobenzoate

(S)-2-{2-Methyl-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid diethyl ester

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