Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

Base Information

Chemical Name:Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate
CAS No.:104776-74-1
Molecular Formula:C8H8BrNO4
Molecular Weight:262.06
Hs Code.:2934999090
European Community (EC) Number:672-856-9
DSSTox Substance ID:DTXSID10371314
Wikidata:Q82158608
Mol file:104776-74-1.mol

Synonyms:ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate;104776-74-1;Ethyl 5-(bromoacetyl)isoxazole-3-carboxylate;ethyl 5-(2-bromoacetyl)-1,2-oxazole-3-carboxylate;3-Isoxazolecarboxylicacid, 5-(2-bromoacetyl)-, ethyl ester;5-(Bromoacetyl)-3-(ethoxycarbonyl)isoxazole;Ethyl 5-(bromoacetyl)-1,2-oxazole-3-carboxylate;SCHEMBL1535177;DTXSID10371314;GUYZRQOTADGHII-UHFFFAOYSA-N;MFCD00173773;AKOS015836062;PS-9907;CS-0059247;FT-0626104;A801072;1,2-dimyristoylamino-1,2-deoxy-phosphatidylcholine;J-001253;ethyl 5-(2-bromanylethanoyl)-1,2-oxazole-3-carboxylate;5-(2-bromo-1-oxoethyl)-3-isoxazolecarboxylic acid ethyl ester

Suppliers and Price of Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

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
Ethyl5-(2-bromoacetyl)isoxazole-3-carboxylate
500mg
$ 185.00

SynQuest Laboratories
Ethyl 5-(bromoacetyl)isoxazole-3-carboxylate
1 g
$ 140.00

SynQuest Laboratories
Ethyl 5-(bromoacetyl)isoxazole-3-carboxylate
250 mg
$ 50.00

Matrix Scientific
Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate 95+%
10g
$ 1415.00

Matrix Scientific
Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate 95+%
5g
$ 980.00

Matrix Scientific
Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate 95+%
1g
$ 303.00

Crysdot
Ethyl5-(2-bromoacetyl)isoxazole-3-carboxylate 95+%
5g
$ 414.00

Chemenu
Ethyl5-(2-bromoacetyl)isoxazole-3-carboxylate 95%
5g
$ 391.00

Atlantic Research Chemicals
Ethyl5-(Bromoacetyl)isoxazole-3-carboxylate 95%
1gm:
$ 106.04

Apolloscientific
Ethyl 5-(bromoacetyl)isoxazole-3-carboxylate
250mg
$ 42.00

Total 22 raw suppliers

Chemical Property of Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

Chemical Property:

Vapor Pressure:8.52E-06mmHg at 25°C
Melting Point:71 °C
Refractive Index:1.529
Boiling Point:374.2 °C at 760 mmHg
PKA:-7.72±0.50(Predicted)
Flash Point:180.1 °C
PSA：69.40000
Density:1.592 g/cm³
LogP:1.42890
Storage Temp.:2-8°C
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:260.96367
Heavy Atom Count:14
Complexity:233

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl5-(2-bromoacetyl)isoxazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=NOC(=C1)C(=O)CBr

Technology Process of Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

There total 3 articles about Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate 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: 83.0%

: 104776-70-7
ethyl 5‐acetylisoxazole‐3‐carboxylate

: 104776-74-1
ethyl 5‐(2‐bromoacetyl)isoxazole‐3‐carboxylate

: 131974-27-1
5-(2,2-Dibromo-acetyl)-isoxazole-3-carboxylic acid ethyl ester

Guidance literature:: With bromine; acetic acid; In chloroform; at 48 - 50 ℃;
DOI:10.1021/jm00106a020

Reference yield: 70.0%

: 104776-70-7
ethyl 5‐acetylisoxazole‐3‐carboxylate

: 104776-74-1
ethyl 5‐(2‐bromoacetyl)isoxazole‐3‐carboxylate

Guidance literature:: With bromine; acetic acid; In chloroform; at 50 ℃; for 1h;
DOI:10.1021/acs.jmedchem.7b00793

Reference yield:

: 78934-71-1
ethyl 5-(1-hydroxyethyl)isoxazole-3-carboxylate

: 104776-74-1
ethyl 5‐(2‐bromoacetyl)isoxazole‐3‐carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: pyridinium chlorochromate; sodium acetate / CH₂Cl₂ / 20 °C

2: phenyltrimethylammonium tribromide / tetrahydrofuran / 25 °C

With sodium acetate; phenyltrimethylammonium tribromide; pyridinium chlorochromate; In tetrahydrofuran; dichloromethane;