2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide

Base Information

• Chemical Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide
• CAS No.: 6195-80-8
• Molecular Formula: C26H23N3O4S
• Molecular Weight: 306.361
• DSSTox Substance ID: DTXSID00409599
• Wikidata: Q82215478
• Mol file: 6195-80-8.mol

Synonyms:6195-80-8;2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide;Oprea1_435535;DTXSID00409599;AKOS002086466;SR-01000557813;SR-01000557813-1;2-{[3-(2H-1,3-BENZODIOXOL-5-YL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}-N-ETHYL-N-(3-METHYLPHENYL)ACETAMIDE

Chemical Property of 2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide

Chemical Property:

• Vapor Pressure: 3.85E-18mmHg at 25°C
• Boiling Point: 676.1°Cat760mmHg
• Flash Point: 362.7°C
• PSA: 98.96000
• Density: 1.33g/cm³
• LogP: 4.56800
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 473.14092740
• Heavy Atom Count: 34
• Complexity: 792

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5

Technology Process of 2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide

There total 24 articles about 2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide 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: 100.0%

(4S,5R,6S)-4,5,6-tris-benzyloxycyclohex-2-en-1-one (85798-11-4) → 2,4-bis(benzyloxy)phenol (6195-80-8)

Guidance literature:

With sodium hydride; diethyl malonate; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1080/07328300701252623

Reference yield: 95.0%

2,4-dibenzyloxybenzaldehyde (13246-46-3) → 2,4-bis(benzyloxy)phenol (6195-80-8)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; In methanol; water; at 20 ℃; for 2h;

DOI:10.1021/acs.jnatprod.6b00861

Reference yield: 79.0%

(+/-)-1-O-p-toluenesulfonyl-3,4,5,6-tetra-O-benzyl-myo-inositol (6383-01-3,97371-75-0) → 2,4-bis(benzyloxy)phenol (6195-80-8) + 2,3,4,5-tetra(benzyloxy)cyclohexan-1-ol

Guidance literature:

With lithium triethylborohydride; In tetrahydrofuran; for 24h; Ambient temperature;

DOI:10.1021/jo960413b

upstream raw materials:

2,4-dibenzyloxybenzaldehyde

trimethylsulfoxonium iodide

1L-(2,4,5/3)-2,3,4-Tri-O-benzyl-2,3,4,5-tetrahydroxy-1-cyclohexanon

(+/-)-4,5,6-Tribenzyloxycyclohex-2-enon

Downstream raw materials:

2,4-bis(benzyloxy)-1-methoxybenzene

(2,4-Bis-benzyloxy-phenoxymethyl)-phosphonic acid diethyl ester

ethyl (2,4-dibenzyloxyphenoxy)acetate

1-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-2,4-dibenzyloxybenzene