(6-(Bromomethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methyl acetate

Base Information

Chemical Name:(6-(Bromomethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methyl acetate
CAS No.:289686-86-8
Molecular Formula:C₁₃H₁₂BrClN₂O₃
Molecular Weight:359.607
Hs Code.:
DSSTox Substance ID:DTXSID901143701
Mol file:289686-86-8.mol

Synonyms:289686-86-8;(6-(bromomethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methyl acetate;[6-(bromomethyl)-7-chloro-3-methyl-4-oxoquinazolin-2-yl]methyl acetate;SCHEMBL6579962;DTXSID901143701;CS-M1331;AKOS037649912;CS-13871;(6-(bromomethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methylacetate;2-[(Acetyloxy)methyl]-6-(bromomethyl)-7-chloro-3-methyl-4(3H)-quinazolinone

Suppliers and Price of (6-(Bromomethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methyl acetate

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 5 raw suppliers

Chemical Property of (6-(Bromomethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methyl acetate

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:357.97198
Heavy Atom Count:20
Complexity:443

Purity/Quality:: ≥95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC1=NC2=C(C=C(C(=C2)Cl)CBr)C(=O)N1C

Technology Process of (6-(Bromomethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methyl acetate

There total 15 articles about (6-(Bromomethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methyl acetate 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: 51.0%

: 289686-85-7
2-acetoxymethyl-7-chloro-3,6-dimethyl-3,4-dihydroquinazolin-4-one

: 289686-86-8
2-acetoxymethyl-6-bromomethyl-7-chloro-3-methyl-3,4-dihydroquinazolin-4-one

Guidance literature:: With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 85 ℃; for 3.83333h; Irradiation;
DOI:10.1021/jm011081s

Reference yield:

: 95-74-9,827571-80-2
3-chloro-p-toluidine

: 289686-86-8
2-acetoxymethyl-6-bromomethyl-7-chloro-3-methyl-3,4-dihydroquinazolin-4-one

Guidance literature:: Multi-step reaction with 12 steps

1: 86 percent / pyridine / ethyl acetate / 18 h / 20 °C

2: 48 percent / glacial AcOH; Br₂ / 1.5 h / 15 °C

3: 94 percent / AcOH; conc. HCl / 24 h / 118 °C

4: 6.52 g / N-methylpyrrolidinone / 2 h / 163 °C

5: 93 percent / aq. KOH; H₂O₂ / 2 h / 130 °C

6: 97 percent / tetrahydrofuran / 6 h / 20 °C

7: 90 percent / DMAP / 3 h / 80 °C

8: 90 percent / pyridine / dimethylformamide / 2 h / 20 °C

9: 0.230 g / methanol; tetrahydrofuran / 26 h / 20 °C

10: 76 percent / 48percent aq. HBr / 7 h / 120 °C

11: 98 percent / DMAP; Et₃N / CH₂Cl₂ / 0.5 h / 20 °C

12: 51 percent / NBS; dibenzoyl peroxide / CCl₄ / 3.83 h / 85 °C / Irradiation

With pyridine; 1-methyl-pyrrolidin-2-one; hydrogenchloride; dmap; potassium hydroxide; N-Bromosuccinimide; dihydrogen peroxide; bromine; acetic acid; triethylamine; dibenzoyl peroxide; In tetrahydrofuran; methanol; tetrachloromethane; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm011081s

Reference yield:

: 7149-79-3
N-(3-chloro-4-methylphenyl)acetamide

: 289686-86-8
2-acetoxymethyl-6-bromomethyl-7-chloro-3-methyl-3,4-dihydroquinazolin-4-one

Guidance literature:: Multi-step reaction with 11 steps

1: 48 percent / glacial AcOH; Br₂ / 1.5 h / 15 °C

2: 94 percent / AcOH; conc. HCl / 24 h / 118 °C

3: 6.52 g / N-methylpyrrolidinone / 2 h / 163 °C

4: 93 percent / aq. KOH; H₂O₂ / 2 h / 130 °C

5: 97 percent / tetrahydrofuran / 6 h / 20 °C

6: 90 percent / DMAP / 3 h / 80 °C

7: 90 percent / pyridine / dimethylformamide / 2 h / 20 °C

8: 0.230 g / methanol; tetrahydrofuran / 26 h / 20 °C

9: 76 percent / 48percent aq. HBr / 7 h / 120 °C

10: 98 percent / DMAP; Et₃N / CH₂Cl₂ / 0.5 h / 20 °C

11: 51 percent / NBS; dibenzoyl peroxide / CCl₄ / 3.83 h / 85 °C / Irradiation

With pyridine; 1-methyl-pyrrolidin-2-one; hydrogenchloride; dmap; potassium hydroxide; N-Bromosuccinimide; dihydrogen peroxide; bromine; acetic acid; triethylamine; dibenzoyl peroxide; In tetrahydrofuran; methanol; tetrachloromethane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm011081s