3-Bromo-5-chloro-4-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]benzoic acid

Base Information

Chemical Name:3-Bromo-5-chloro-4-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]benzoic acid
CAS No.:107356-02-5
Molecular Formula:C₁₆H₁₇BrClNO₄
Molecular Weight:402.672
Hs Code.:
DSSTox Substance ID:DTXSID901157328

Synonyms:SCHEMBL9706270;DTXSID901157328;3-Bromo-5-chloro-4-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]benzoic acid;107356-02-5

Suppliers and Price of 3-Bromo-5-chloro-4-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]benzoic acid

Supply Marketing:

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

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Chemical Property of 3-Bromo-5-chloro-4-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]benzoic acid

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:401.00295
Heavy Atom Count:23
Complexity:387

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Br)C(=O)O)Cl

Technology Process of 3-Bromo-5-chloro-4-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]benzoic acid

There total 4 articles about 3-Bromo-5-chloro-4-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]benzoic 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: 86.0%

: 107356-00-3
3-Bromo-5-chloro-4-[5-(3-methyl-isoxazol-5-yl)-pentyloxy]-benzoic acid methyl ester

: 107356-02-5
3-Bromo-5-chloro-4-<<5-(3-methyl-5-isoxazolyl)pentyl>oxy>benzoic acid

Guidance literature:: With lithium hydroxide; In methanol; water; Heating;
DOI:10.1021/jm00122a027

Reference yield:

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

: 107356-02-5
3-Bromo-5-chloro-4-<<5-(3-methyl-5-isoxazolyl)pentyl>oxy>benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 89 percent / Br₂, glacial acetic acid

2: 94 percent / HCl

3: 72 percent / K₂CO₃

4: 86 percent / LiOH / methanol; H₂O / Heating

With hydrogenchloride; lithium hydroxide; bromine; potassium carbonate; acetic acid; In methanol; water;
DOI:10.1021/jm00122a027

Reference yield:

: 118276-15-6
3-bromo-5-chloro-4-hydroxybenzoic acid

: 107356-02-5
3-Bromo-5-chloro-4-<<5-(3-methyl-5-isoxazolyl)pentyl>oxy>benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 94 percent / HCl

2: 72 percent / K₂CO₃

3: 86 percent / LiOH / methanol; H₂O / Heating

With hydrogenchloride; lithium hydroxide; potassium carbonate; In methanol; water;
DOI:10.1021/jm00122a027