2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid

Base Information

Chemical Name:2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid
CAS No.:23866-15-1
Molecular Formula:C11H11 N O4
Molecular Weight:221.21
Hs Code.:2934999090
European Community (EC) Number:827-200-8
DSSTox Substance ID:DTXSID90391439
Wikidata:Q82188903
Mol file:23866-15-1.mol

Synonyms:23866-15-1;2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid;3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid;3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoic acid;3-(3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid;2,3-Dihydro-3-oxo-4H-1,4-benzoxazino-4-propionic acid;4H-1,4-Benzoxazine-4-propanoicacid, 2,3-dihydro-3-oxo-;SCHEMBL4971763;DTXSID90391439;MFCD03094040;AKOS000200245;CS-0449893;EN300-13468;SR-01000069793;A1-01416;J-015249;SR-01000069793-1;Z90121780;2,3-Dihydro-3-oxo-4H-1,4-benzoxazino-4-propionicacid;3-(3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoicacid;2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid, 97%;3-(3-Oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid;3-(3-Oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)propanoic acid

Suppliers and Price of 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid

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

AK Scientific
2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid
1g
$ 116.00

American Custom Chemicals Corporation
3-(2,3-DIHYDRO-3-OXOBENZO[B][1,4]OXAZIN-4-YL)PROPANOIC ACID 95.00%
1G
$ 653.68

Heterocyclics
3-(2,3-Dihydro-3-oxobenzo[b][1,4]oxazin-4-yl)propanoicacid 97%
1g
$ 81.00

Heterocyclics
3-(2,3-Dihydro-3-oxobenzo[b][1,4]oxazin-4-yl)propanoicacid 97%
5g
$ 314.00

Sigma-Aldrich
2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid 97%
1g
$ 51.90

TRC
3-(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoicAcid
50mg
$ 60.00

Total 7 raw suppliers

Chemical Property of 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid

Chemical Property:

Vapor Pressure:7.26E-12mmHg at 25°C
Melting Point:163-166 °C(lit.)
Boiling Point:525.4°Cat760mmHg
PKA:4.30±0.10(Predicted)
Flash Point:271.5°C
PSA：66.84000
Density:g/cm³
LogP:0.95170
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:221.06880783
Heavy Atom Count:16
Complexity:292

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)O
Uses 2,5-Dichlorobenzyl bromide may be used in the synthesis of methyl 5-(2,5-dichlorobenzyloxy)-2-hydroxybenzoate and methyl 4-(2,5-dichlorobenzyloxy)-2-hydroxybenzoate via chemoselective alkylation of the hydroxyl group of the corresponding ester.

Technology Process of 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid

There total 6 articles about 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid 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: 96.0%

: 23866-14-0
ethyl 3-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)propanoate

: 23866-15-1
3-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)propanoic acid

Guidance literature:: With water; potassium hydroxide; In tetrahydrofuran; at 20 - 60 ℃; for 3h;
DOI:10.1002/cmdc.201500301

Reference yield:

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

: 23866-15-1
3-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)propanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: KOtBu / 2-methyl-propan-2-ol / 60 °C

2: aq H₂SO₄, AcOH / Heating

With sulfuric acid; potassium tert-butylate; acetic acid; In tert-butyl alcohol;