4H-3,1-Benzoxazin-4-one, 2-(4-chlorophenyl)-

Base Information

Chemical Name:4H-3,1-Benzoxazin-4-one, 2-(4-chlorophenyl)-
CAS No.:18600-52-7
Molecular Formula:C14H8ClNO2
Molecular Weight:257.676
Hs Code.:2934999090
European Community (EC) Number:688-694-7
DSSTox Substance ID:DTXSID501243541
Nikkaji Number:J307.714D
ChEMBL ID:CHEMBL4637831
Mol file:18600-52-7.mol

Synonyms:18600-52-7;2-(4-chlorophenyl)-4H-3,1-benzoxazin-4-one;2-(4-Chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one;2-(4-chlorophenyl)-3,1-benzoxazin-4-one;2-(p-Chlorophenyl)-4H-3,1-benzoxazin-4-one;CHEMBL4637831;SR-01000439311;Oprea1_579678;Oprea1_802891;2-(4-Chloro-phenyl)-benzo[d][1,3]oxazin-4-one;SCHEMBL913962;DTXSID501243541;BDBM50544046;STK033309;AKOS000727697;CCG-107162;MS-0078;CS-0324105;2-(4-chlorophenyl)-3,1-benzoxazin-4(3h)-one;AE-641/01676054;SR-01000439311-1;SR-01000439311-2;BRD-K07666948-001-01-9;2-(PARA-CHLOROPHENYL)-3,1-BENZOXAZIN-4(4H)-ONE

Suppliers and Price of 4H-3,1-Benzoxazin-4-one, 2-(4-chlorophenyl)-

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

Sigma-Aldrich
2-(PARA-CHLOROPHENYL)-3,1-BENZOXAZIN-4(4H)-ONE AldrichCPR
250mg
$ 144.00

American Custom Chemicals Corporation
2-(4-CHLOROPHENYL)-4H-3,1-BENZOXAZIN-4-ONE 95.00%
5MG
$ 623.82

American Custom Chemicals Corporation
2-(4-CHLOROPHENYL)-4H-3,1-BENZOXAZIN-4-ONE 95.00%
10MG
$ 618.50

American Custom Chemicals Corporation
2-(4-CHLOROPHENYL)-4H-3,1-BENZOXAZIN-4-ONE 95.00%
1MG
$ 586.97

Total 6 raw suppliers

Chemical Property of 4H-3,1-Benzoxazin-4-one, 2-(4-chlorophenyl)-

Chemical Property:

Melting Point:190 °C(Solv: ethanol (64-17-5))
Boiling Point:372.9±21.0 °C(Predicted)
PKA:1.69±0.20(Predicted)
PSA：43.10000
Density:1.35±0.1 g/cm3(Predicted)
LogP:3.50840
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:257.0243562
Heavy Atom Count:18
Complexity:361

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(PARA-CHLOROPHENYL)-3,1-BENZOXAZIN-4(4H)-ONE AldrichCPR ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)Cl

Technology Process of 4H-3,1-Benzoxazin-4-one, 2-(4-chlorophenyl)-

There total 37 articles about 4H-3,1-Benzoxazin-4-one, 2-(4-chlorophenyl)- 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: 98.0%

: C₁₄H₈ClN₃O₃

: 18600-52-7
2-(4-chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one

Guidance literature:: With triphenylphosphine; In toluene; at 20 ℃;
DOI:10.1021/acscatal.6b00165

Reference yield: 95.0%

: 34425-87-1
N-(4-chlorobenzoyl)anthranilic acid

: 18600-52-7
2-(4-chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one

Guidance literature:: With acetic anhydride; Reflux;
DOI:10.1016/j.bmc.2015.11.023

Reference yield: 92.0%

: 637-87-6
1-Chloro-4-iodobenzene

: 201230-82-2
carbon monoxide

: 615-43-0
2-iodophenylamine

: 18600-52-7
2-(4-chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In toluene; at 110 ℃; for 24h; under 3750.38 Torr; Inert atmosphere;
DOI:10.1055/s-0039-1690265