Methyl 5-acetyl-2-(cyclohexylmethoxy)benzoate

Base Information

Chemical Name:Methyl 5-acetyl-2-(cyclohexylmethoxy)benzoate
CAS No.:260371-57-1
Molecular Formula:C₁₇H₂₂O₄
Molecular Weight:290.359
Hs Code.:
DSSTox Substance ID:DTXSID201252719
Nikkaji Number:J1.214.180G

Synonyms:Methyl 5-acetyl-2-(cyclohexylmethoxy)benzoate;260371-57-1;Benzoic acid, 5-acetyl-2-(cyclohexylmethoxy)-, methyl ester;DTXSID201252719;A1-36222

Suppliers and Price of Methyl 5-acetyl-2-(cyclohexylmethoxy)benzoate

Supply Marketing:

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

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Chemical Property of Methyl 5-acetyl-2-(cyclohexylmethoxy)benzoate

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:290.15180918
Heavy Atom Count:21
Complexity:360

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)OC

Technology Process of Methyl 5-acetyl-2-(cyclohexylmethoxy)benzoate

There total 1 articles about Methyl 5-acetyl-2-(cyclohexylmethoxy)benzoate 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: 84.0%

: 16475-90-4
estere metilico dell'acido 5-acetilsalicilico

: 2550-36-9
Cyclohexylmethyl bromide

: 260371-57-1
methyl 5-acetyl-2-(cyclohexylmethoxy)benzoate

Guidance literature:: estere metilico dell'acido 5-acetilsalicilico; With caesium carbonate; In methanol; water; for 0.75h;

Cyclohexylmethyl bromide; In N,N-dimethyl-formamide; at 90 ℃; for 18h;
DOI:10.1016/S0957-4166(99)00470-X

Reference yield:

: 260371-57-1
methyl 5-acetyl-2-(cyclohexylmethoxy)benzoate

: 224445-43-6
(S)-5-(1-aminoethyl)-2-(cyclohexylmethoxy)benzamide

Guidance literature:: Multi-step reaction with 6 steps

1: NaBH₄; moist Al₂O₃ / hexane / 40 °C

2: 47 percent / lipase PS-C 'Amano'II / hexane / 20 °C

3: 98 percent / K₂CO₃ / methanol

4: 91 percent / NH₄OH; HOBt; EDC / tetrahydrofuran

5: 71 percent / DPPA; DBU / toluene

6: 88 percent / H₂ / 10 percent Pd/C / ethyl acetate

With aluminum oxide; ammonium hydroxide; sodium tetrahydroborate; lipase PS-C 'Amano'II; diphenyl-phosphinic acid; hydrogen; potassium carbonate; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium on activated charcoal; In tetrahydrofuran; methanol; hexane; ethyl acetate; toluene;
DOI:10.1016/S0960-894X(02)00256-1