Butyl 4-formylbenzoate

Base Information

• Chemical Name: Butyl 4-formylbenzoate
• CAS No.: 70986-34-4
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• DSSTox Substance ID: DTXSID70601649
• Wikidata: Q82498427
• Mol file: 70986-34-4.mol

Synonyms:BUTYL 4-FORMYLBENZOATE;70986-34-4;SCHEMBL9099239;DTXSID70601649;HS-3870

Chemical Property of Butyl 4-formylbenzoate

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC=C(C=C1)C=O

Technology Process of Butyl 4-formylbenzoate

There total 3 articles about Butyl 4-formylbenzoate 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: 90.0%

1-bromo-butane (109-65-9) + 4-Carboxybenzaldehyde (619-66-9) → benzaldehyde-4-carboxylic acid butyl ester (70986-34-4)

Guidance literature:

4-Carboxybenzaldehyde; With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 100 ℃; for 2h;

1-bromo-butane; In N,N-dimethyl-formamide; at 100 ℃; for 12h;

DOI:10.1021/jo302707f

Reference yield: 68.0%

4-Carboxybenzaldehyde (619-66-9) + butan-1-ol (71-36-3) → benzaldehyde-4-carboxylic acid butyl ester (70986-34-4)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jo501289v

Reference yield: 61.0%

carboxy MIDA boronate + 4-bromo-benzaldehyde (1122-91-4) + butan-1-ol (71-36-3) → benzaldehyde-4-carboxylic acid butyl ester (70986-34-4)

Guidance literature:

With [(di(1-adamantyl)butylphosphine)-2-(2′-amino-1,1′-biphenyl)]palladium(II) methanesulfonate; triethylamine; at 120 ℃; for 18h; Inert atmosphere; Sealed tube; Glovebox;

DOI:10.1002/anie.202010211

upstream raw materials:

1-bromo-butane

4-Carboxybenzaldehyde

butan-1-ol

4-bromo-benzaldehyde

Downstream raw materials:

meso-tetrakis<4-((butyloxy)carbonyl)phenyl>porphyrin

butyl 4-{5-[4(diethylamino)phenylamino]naphtho[1,2-d]oxazol-2-yl}benzoate

C₁₉H₂₆O₈

4-Dimethoxymethyl-benzoic acid butyl ester