3-Methyl-2-oxo-1,3-benzoxazole-5-carbonyl chloride

Base Information

Chemical Name:3-Methyl-2-oxo-1,3-benzoxazole-5-carbonyl chloride
CAS No.:154780-55-9
Molecular Formula:C9H6 Cl N O3
Molecular Weight:211.605
Hs Code.:
DSSTox Substance ID:DTXSID30439980
Wikidata:Q82256108
Mol file:154780-55-9.mol

Synonyms:154780-55-9;3-Methyl-2-oxo-1,3-benzoxazole-5-carbonyl chloride;5-Benzoxazolecarbonyl chloride, 2,3-dihydro-3-methyl-2-oxo- (9CI);SCHEMBL473970;DTXSID30439980;VCXBKLPKJSJTFN-UHFFFAOYSA-N;5-benzoxazolecarbonyl chloride,2,3-dihydro-3-methyl-2-oxo-;3-methyl-2-oxo-2,3-dihydro-benzooxazole-5-carbonyl chloride;3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carbonyl chloride;3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carbonyl chloride

Suppliers and Price of 3-Methyl-2-oxo-1,3-benzoxazole-5-carbonyl chloride

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 3-Methyl-2-oxo-1,3-benzoxazole-5-carbonyl chloride

Chemical Property:

PSA：52.21000
LogP:1.51050
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:211.0036207
Heavy Atom Count:14
Complexity:281

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-2-oxo-1,3-benzoxazole-5-carbonyl chloride

There total 2 articles about 3-Methyl-2-oxo-1,3-benzoxazole-5-carbonyl 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: 99.0%

: 154780-52-6
3-methyl-2-oxo-2,3-dihydro-benzooxazole-5-carboxylic acid

: 154780-55-9
3-methyl-2-oxo-2,3-dihydro-benzooxazole-5-carbonyl chloride

Guidance literature:: With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 2h; Product distribution / selectivity;

Reference yield:

: 65422-72-2
2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxylic acid

: 154780-55-9
3-methyl-2-oxo-2,3-dihydro-benzooxazole-5-carbonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / KOH / aq. ethanol / 4 h / Ambient temperature

2: 92 percent / SOCl₂ / 0.5 h / Heating

With potassium hydroxide; thionyl chloride; In ethanol;

Reference yield: 55.0%

: 54788-17-9
2-chloro-4-methoxybenzyl bromide

: 154780-55-9
3-methyl-2-oxo-2,3-dihydro-benzooxazole-5-carbonyl chloride

: 1246686-02-1
5-[2-(2-Chloro-4-methoxy-phenyl)-acetyl]-3-methyl-3H-benzooxazol-2-one

Guidance literature:: 3-methyl-2-oxo-2,3-dihydro-benzooxazole-5-carbonyl chloride; With zinc; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; for 0.333333h;

2-chloro-4-methoxybenzyl bromide; In 1,2-dimethoxyethane; at 0 - 20 ℃; for 3h;