3-Oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine

Base Information

• Chemical Name: 3-Oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine
• CAS No.: 52042-27-0
• Molecular Formula: C11H12ClNO4
• Molecular Weight: 257.67
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50966400
• Nikkaji Number: J67.833C
• Mol file: 52042-27-0.mol

Synonyms:52042-27-0;BRN 1219612;3-Oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine;2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-;6-Chloro-4-(2,3-dihydroxypropyl)-2,3-dihydro-4H-1,4-benzoxazin-3-one;4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-6-CHLORO-4-(2,3-DIHYDROXYPROPYL)-;6-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one;SCHEMBL11826964;DTXSID50966400;AKOS021168582;LS-41889

Chemical Property of 3-Oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine

Chemical Property:

• Vapor Pressure: 1.27E-14mmHg at 25°C
• Boiling Point: 587°C at 760 mmHg
• Flash Point: 308.8°C
• PSA: 70.00000
• Density: 1.461g/cm³
• LogP: 0.48360
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.0454856
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(CO)O

Technology Process of 3-Oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine

There total 3 articles about 3-Oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine 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:

2-chloro-N-(5-chloro-2-hydroxyphenyl)acetamide (35588-38-6) → 6-chloro-4-(2,3-dihydroxy-propyl)-4H-benzo[1,4]oxazin-3-one (52042-27-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOEt, KI / ethanol / Heating

2: (i) NaOH, EtOH, (ii) /BRN= 635684/

With sodium ethanolate; potassium iodide; In ethanol;

Reference yield:

6-chloro-2H-1,4-benzoxazin-3(4H)-one (7652-29-1) + 3-monochloro-1,2-propanediol (96-24-2) → 6-chloro-4-(2,3-dihydroxy-propyl)-4H-benzo[1,4]oxazin-3-one (52042-27-0)

Guidance literature:

Multistep reaction; (i) NaOH, EtOH, (ii) /BRN= 635684/;

Reference yield:

→ 6-chloro-4-(2,3-dihydroxy-propyl)-4H-benzo[1,4]oxazin-3-one (52042-27-0)

Guidance literature:

upstream raw materials:

6-chloro-2H-1,4-benzoxazin-3(4H)-one

3-monochloro-1,2-propanediol

2-chloro-N-(5-chloro-2-hydroxyphenyl)acetamide