3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

Base Information

Chemical Name:3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
CAS No.:90563-93-2
Molecular Formula:C₉H₉NO₃
Molecular Weight:179.175
Hs Code.:2934999090
DSSTox Substance ID:DTXSID50396965
ChEMBL ID:CHEMBL4869708
Mol file:90563-93-2.mol

Synonyms:90563-93-2;3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid;3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid;CHEMBL4869708;2H-1,4-Benzoxazine-2-carboxylicacid, 3,4-dihydro-;2H-1,4-Benzoxazine-2-carboxylic acid, 3,4-dihydro-;SDCCGMLS-0066082.P001;SCHEMBL924190;benzomorpholine-2-carboxylic acid;DTXSID50396965;VNTNLTOJGXENIZ-UHFFFAOYSA-N;BDBM50576035;MFCD05865108;AKOS001122271;AKOS016340738;NC-0746;CS-0434975;FT-0619027;EN300-12920;J-511177;Z90669210;3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylicacid;3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylic acid, AldrichCPR;(+/-)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid

Suppliers and Price of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic 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

TRC
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylicAcid
5g
$ 1260.00

TRC
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylicAcid
500mg
$ 185.00

Matrix Scientific
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylic acid >95%
500mg
$ 362.00

Crysdot
3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylicacid 97%
1g
$ 357.00

Crysdot
3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylicacid 97%
5g
$ 1077.00

Atlantic Research Chemicals
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylicacid 95%
250mgs:
$ 77.76

Apolloscientific
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylicacid 95%
250mg
$ 185.00

Apolloscientific
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylicacid 95%
1g
$ 530.00

American Custom Chemicals Corporation
3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID 95.00%
1G
$ 852.55

Total 15 raw suppliers

Chemical Property of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

Chemical Property:

Vapor Pressure:4.16E-07mmHg at 25°C
Melting Point:175-177°
Boiling Point:399.7°Cat760mmHg
PKA:2.02±0.20(Predicted)
Flash Point:195.6°C
PSA：58.56000
Density:1.321g/cm³
LogP:1.08210
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.058243149
Heavy Atom Count:13
Complexity:207

Purity/Quality:

99%, ^*data from raw suppliers

3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.;
Hazard Codes: Xi:Irritant;
Statements: R36/37/38:Irritating to eyes, respiratory system and skin.;
Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC2=CC=CC=C2N1)C(=O)O
Uses 3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylic Acid is a building block that has been used in the sysnthesis of N-substituted benzomorpholine-2-carboxylic acid derivatives.

Technology Process of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

There total 3 articles about 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic 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: 93.0%

: 22244-22-0
ethyl 3,4-dihydro-2H-benzo [b][1,4]oxazine-2-carboxylate

: 90563-93-2
3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid

Guidance literature:: With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.1c00017

Reference yield:

: 95-55-6
2-amino-phenol

: 90563-93-2
3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / Heating

2: aq. HCl

With hydrogenchloride; potassium carbonate; In acetone;