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

Base Information

Chemical Name:6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one
CAS No.:26518-76-3
Molecular Formula:C10H8 Cl N O3
Molecular Weight:225.631
Hs Code.:2934999090
European Community (EC) Number:627-882-5
DSSTox Substance ID:DTXSID90377455
Wikidata:Q72516871
ChEMBL ID:CHEMBL1399683
Mol file:26518-76-3.mol

Synonyms:26518-76-3;6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one;6-(2-chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one;6-(2-chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one;6-(2-chloroacetyl)-4H-1,4-benzoxazin-3-one;MFCD01321312;6-(2-Chloro-acetyl)-4H-benzo[1,4]oxazin-3-one;6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one;MLS000780111;SCHEMBL532500;2H-1,4-Benzoxazin-3(4H)-one, 6-(2-chloroacetyl)-;CHEMBL1399683;DTXSID90377455;MIAHXWVABDHISZ-UHFFFAOYSA-N;BBL029237;STK660179;AKOS000120938;SMR000420294;C3097;CS-0204405;FT-0680698;EN300-17814;D86501;6-(2-chloroethanoyl)-2H-benz[1,4]oxazin-3-one;6-(2-chloroethanoyl)-4H-benzo[1,4]oxazin-3-one;8Y-0030;A877203;AQ-358/40214357;SR-01000059904;6-(2-chloro-ethanoyl)-4H-benzo[1,4]oxazin-3-one;J-016460;J-517992;SR-01000059904-1;Z57042003;6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one, 98%

Suppliers and Price of 6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one

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

TRC
6-(2-Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one
50mg
$ 60.00

TCI Chemical
6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one >98.0%(GC)
5g
$ 55.00

TCI Chemical
6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one >98.0%(GC)
25g
$ 184.00

Sigma-Aldrich
6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one 98%
25g
$ 156.00

Matrix Scientific
6-(2-Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one >95%
500mg
$ 70.00

Matrix Scientific
6-(2-Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one >95%
1g
$ 100.00

Matrix Scientific
6-(2-Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one >95%
5g
$ 524.00

Heterocyclics
6-(2-Chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 97%
25g
$ 279.00

Heterocyclics
6-(2-Chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 97%
5g
$ 75.00

Crysdot
6-(2-Chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 95+%
100g
$ 440.00

Total 17 raw suppliers

Chemical Property of 6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one

Chemical Property:

Vapor Pressure:4.11E-09mmHg at 25°C
Melting Point:228-230oC(lit.)
Boiling Point:472.9°Cat760mmHg
PKA:11.93±0.20(Predicted)
Flash Point:239.8°C
PSA：55.40000
Density:1.386g/cm³
LogP:1.57700
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:225.0192708
Heavy Atom Count:15
Complexity:282

Purity/Quality:

99%, ^*data from raw suppliers

6-(2-Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCl
Uses 6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one may be used in the preparation of [2-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-carbonyl)-1H-indol-3-yl]acetic acids and N-alkyl 6-[2-(4,6-diphenylpyridyl)]-2H-[1,4]benzoxazin-3-one.

Technology Process of 6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one

There total 3 articles about 6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-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: 91.0%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 79-04-9
chloroacetyl chloride

: 26518-76-3
6-(chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one

Guidance literature:: With aluminum (III) chloride; In dichloromethane; for 5.16h; Cooling with ice; Reflux;

Reference yield:

: 137-07-5
2-amino-benzenethiol

: 26518-76-3
6-(chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: NaHCO₃ / H₂O

2: AlCl₃ / CH₂Cl₂

With aluminium trichloride; sodium hydrogencarbonate; In dichloromethane; water;