3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde

Base Information

Chemical Name:3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde
CAS No.:54903-66-1
Molecular Formula:C9H7NO3
Molecular Weight:177.159
Hs Code.:2934999090
European Community (EC) Number:827-781-8
DSSTox Substance ID:DTXSID40970238
Wikidata:Q82953381
Mol file:54903-66-1.mol

Synonyms:54903-66-1;JPB 25;3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde;3-methyl-2-oxo-1,3-benzoxazole-6-carbaldehyde;3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carboxaldehyde;BRN 0977600;3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-carbaldehyde;2,3-Dihydro-1-methyl-2-oxo-5-benzoxazolecarboxaldehyde;5-Benzoxazolecarboxaldehyde, 2,3-dihydro-1-methyl-2-oxo-;SCHEMBL1027286;DTXSID40970238;VNHQFRPZBXFNTO-UHFFFAOYSA-N;AKOS013154327;AT33434;LS-42144;CS-0063513;FT-0755994;EN300-159644;3-methyl-2-oxo-2,3-dihydro-benzooxazole-6-carbaldehyde;3-Methyl-2-oxo-2,3-dihydro-benzoxazole-6-carboxaldehyde;Z1190318868

Suppliers and Price of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde

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-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde
50mg
$ 90.00

TRC
3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde
25mg
$ 45.00

AK Scientific
3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde
5g
$ 1577.00

AK Scientific
3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde
250mg
$ 314.00

AK Scientific
3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde
100mg
$ 262.00

Total 8 raw suppliers

Chemical Property of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde

Chemical Property:

Vapor Pressure:0.000378mmHg at 25°C
Boiling Point:317.7°Cat760mmHg
Flash Point:145.9°C
PSA：52.21000
Density:1.375g/cm³
LogP:0.94400
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:177.042593085
Heavy Atom Count:13
Complexity:241

Purity/Quality:

97% ^*data from raw suppliers

3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C=C(C=C2)C=O)OC1=O

Technology Process of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde

There total 4 articles about 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde 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: 82.0%

: 33178-83-5
3,6-dimethyl-1,3-benzoxazol-2(3H)-one

: 54903-66-1
2,3-dihydro-3-methyl-2-oxobenzo[d]oxazole-6-carbaldehyde

Guidance literature:

Reference yield: 70.0%

: 21892-80-8
3-methylbenzo[d]oxazol-2(3H)-one

: 100-97-0
hexamethylenetetramine

: 54903-66-1
2,3-dihydro-3-methyl-2-oxobenzo[d]oxazole-6-carbaldehyde

Guidance literature:: With trifluoroacetic acid; at 80 ℃; for 20h;

Reference yield:

: 59-49-4
2-Benzoxazolinone

: 54903-66-1
2,3-dihydro-3-methyl-2-oxobenzo[d]oxazole-6-carbaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH / 2 h / 0 °C

2: 60 percent / polyphosphoric acid / 0.17 h / 130 °C

With sodium hydroxide; PPA;