3-[4-(Benzyloxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Base Information

• Chemical Name: 3-[4-(Benzyloxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
• CAS No.: 696649-46-4
• Molecular Formula: C₁₇H₁₅NO₄
• Molecular Weight: 297.31
• DSSTox Substance ID: DTXSID901165416
• Mol file: 696649-46-4.mol

Synonyms:696649-46-4;3-[4-(benzyloxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid;3-(4-(Benzyloxy)phenyl)-4,5-dihydroisoxazole-5-carboxylic acid;3-[4-(BENZYLOXY)PHENYL]-4,5-DIHYDROISOXAZOLE-5-CARBOXYLIC ACID;MFCD05258258;3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid;DTXSID901165416;BBL040741;STK350928;AKOS000313375;EN300-230802;A923465;3-(4-(Benzyloxy)phenyl)-4,5-dihydroisoxazole-5-carboxylicacid;4,5-Dihydro-3-[4-(phenylmethoxy)phenyl]-5-isoxazolecarboxylic acid;3-[4-(BENZYLOXY)PHENYL]-4,5-DIHYDRO-5-ISOXAZOLECARBOXYLIC ACID

Chemical Property of 3-[4-(Benzyloxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 297.10010796
• Heavy Atom Count: 22
• Complexity: 409

Purity/Quality:

97% ^*data from raw suppliers

3-(4-(Benzyloxy)phenyl)-4,5-dihydroisoxazole-5-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(ON=C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Technology Process of 3-[4-(Benzyloxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid

There total 5 articles about 3-[4-(Benzyloxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic 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:

(3-(4-(benzyloxy)phenyl)-4,5-dihydroisoxazol-5-yl)methanol → C17H15NO4 (696649-46-4)

Guidance literature:

With sodium hypochlorite; sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In aq. phosphate buffer; acetonitrile; at 35 ℃; for 24h; pH=7;

DOI:10.1002/ejoc.201600998

Reference yield:

p-benzyloxybenzaldehyde (4397-53-9) → C17H15NO4 (696649-46-4)

Guidance literature:

Multi-step reaction with 5 steps

1: tetrahydrofuran; diethyl ether / 1 h / 0 °C

2: Jones reagent / acetone / 0.08 h / 0 °C

3: sodium acetate; hydroxylamine hydrochloride / water; ethanol / 2 h / 20 °C

4: manganese(III) acetylacetonate; oxygen / methanol / 3 h / 20 °C / Green chemistry

5: sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium chlorite / acetonitrile; aq. phosphate buffer / 24 h / 35 °C / pH 7

With sodium hypochlorite; sodium chlorite; Jones reagent; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; hydroxylamine hydrochloride; oxygen; sodium acetate; manganese(III) acetylacetonate; In tetrahydrofuran; methanol; aq. phosphate buffer; diethyl ether; ethanol; water; acetone; acetonitrile;

DOI:10.1002/ejoc.201600998

Reference yield:

(+/-)-1-(4-benzyloxyphenyl)but-3-en-1-ol (470665-14-6) → C17H15NO4 (696649-46-4)

Guidance literature:

Multi-step reaction with 4 steps

1: Jones reagent / acetone / 0.08 h / 0 °C

2: sodium acetate; hydroxylamine hydrochloride / water; ethanol / 2 h / 20 °C

3: manganese(III) acetylacetonate; oxygen / methanol / 3 h / 20 °C / Green chemistry

4: sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium chlorite / acetonitrile; aq. phosphate buffer / 24 h / 35 °C / pH 7

With sodium hypochlorite; sodium chlorite; Jones reagent; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; hydroxylamine hydrochloride; oxygen; sodium acetate; manganese(III) acetylacetonate; In methanol; aq. phosphate buffer; ethanol; water; acetone; acetonitrile;

DOI:10.1002/ejoc.201600998

upstream raw materials:

p-benzyloxybenzaldehyde

(+/-)-1-(4-benzyloxyphenyl)but-3-en-1-ol