5-(Bromomethyl)-3-isoxazolecarbonyl chloride

Base Information

Chemical Name:5-(Bromomethyl)-3-isoxazolecarbonyl chloride
CAS No.:95312-12-2
Molecular Formula:C₅H₃BrClNO₂
Molecular Weight:224.441
Hs Code.:
DSSTox Substance ID:DTXSID201258886
Mol file:95312-12-2.mol

Synonyms:5-(bromomethyl)-3-isoxazolecarbonyl chloride;95312-12-2;SCHEMBL9817341;VJLRSINXVJYMFZ-UHFFFAOYSA-N;DTXSID201258886

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Chemical Property of 5-(Bromomethyl)-3-isoxazolecarbonyl chloride

Chemical Property:

PSA：43.10000
LogP:1.94850
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:222.90357
Heavy Atom Count:10
Complexity:144

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=C(ON=C1C(=O)Cl)CBr

Technology Process of 5-(Bromomethyl)-3-isoxazolecarbonyl chloride

There total 5 articles about 5-(Bromomethyl)-3-isoxazolecarbonyl chloride 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:

: 95312-11-1
5-(bromomethyl)-3-isoxazolecarboxylic acid

: 80173-68-8
5-(chloromethyl)-3-isoxazolecarbonyl chloride

: 95312-12-2
5-(bromomethyl)-3-isoxazolecarbonyl chloride

Guidance literature:: With oxalyl dichloride; In tetrahydrofuran; for 2h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;
DOI:10.1021/jo00350a056

Reference yield:

: 3405-77-4
5-methylisoxazole 3-carboxylic acid

: 95312-12-2
5-(bromomethyl)-3-isoxazolecarbonyl chloride

Guidance literature:: Multi-step reaction with 4 steps

1: CCl₄ / 1 h / Heating

2: N-bromosuccinimide, benzoyl peroxide / CCl₄ / 1.5 h / Heating; Irradiation

3: 4 N HCl / tetrahydrofuran / 0.08 h / Heating

4: (COCl)2 / tetrahydrofuran / 2 h / Heating

With hydrogenchloride; N-Bromosuccinimide; Perbenzoic acid; oxalyl dichloride; In tetrahydrofuran; tetrachloromethane;
DOI:10.1021/jo00350a056

Reference yield:

: 95312-50-8
C₈H₁₃NO₃Si

: 95312-12-2
5-(bromomethyl)-3-isoxazolecarbonyl chloride

Guidance literature:: Multi-step reaction with 3 steps

1: N-bromosuccinimide, benzoyl peroxide / CCl₄ / 1.5 h / Heating; Irradiation

2: 4 N HCl / tetrahydrofuran / 0.08 h / Heating

3: (COCl)2 / tetrahydrofuran / 2 h / Heating

With hydrogenchloride; N-Bromosuccinimide; Perbenzoic acid; oxalyl dichloride; In tetrahydrofuran; tetrachloromethane;
DOI:10.1021/jo00350a056