4-(5-(Trifluoromethyl)pyridin-2-yl)benzaldehyde

Base Information

• Chemical Name: 4-(5-(Trifluoromethyl)pyridin-2-yl)benzaldehyde
• CAS No.: 871252-64-1
• Molecular Formula: C13H8 F3 N O
• Molecular Weight: 251.208
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID80376917
• Wikidata: Q82165846
• Mol file: 871252-64-1.mol

Synonyms:871252-64-1;4-(5-(Trifluoromethyl)pyridin-2-yl)benzaldehyde;4-[5-(trifluoromethyl)pyridin-2-yl]benzaldehyde;4-[5-(Trifluoromethyl)-2-pyridinyl]-benzenecarbaldehyde;4-[5-(Trifluoromethyl)-2-pyridinyl]benzenecarbaldehyde;SCHEMBL2275587;DTXSID80376917;MFCD06797372;AKOS005069357;CS-0319296;FT-0679980;4-(5-trifluoromethyl-pyridin-2-yl)-benzaldehyde;A862820;10Y-0717;A1-08314;4-[5-(trifluoromethyl)pyridin-2-yl]benzenecarbaldehyde;4-[5-(trifluoromethyl)pyridin-2-yl]benzaldehyde, AldrichCPR

Chemical Property of 4-(5-(Trifluoromethyl)pyridin-2-yl)benzaldehyde

Chemical Property:

• Melting Point: 92-94°C
• PSA: 29.96000
• LogP: 3.57990
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 251.05579836
• Heavy Atom Count: 18
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

4-[5-(Trifluoromethyl)pyridin-2-yl]benzenaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)C2=NC=C(C=C2)C(F)(F)F

Technology Process of 4-(5-(Trifluoromethyl)pyridin-2-yl)benzaldehyde

There total 2 articles about 4-(5-(Trifluoromethyl)pyridin-2-yl)benzaldehyde 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: 69.3%

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (128376-64-7) + 2-bromo-5-(trifluoromethyl)pyridine (50488-42-1) → 4-(5-(trifluoromethyl)pyridin-2-yl)benzaldehyde (871252-64-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 90 ℃; for 5h; Inert atmosphere;

Reference yield: 68.7%

4-formylphenylboronic acid, (87199-17-5) + 2-chloro-5-trifluoromethylpyridine (52334-81-3) → 4-(5-(trifluoromethyl)pyridin-2-yl)benzaldehyde (871252-64-1)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 90 ℃; for 3h;

Reference yield: 80.0%

n-butyl magnesium bromide (693-03-8) + 4-(5-(trifluoromethyl)pyridin-2-yl)benzaldehyde (871252-64-1) → 1-[4-(5-trifluoromethyl-pyridin-2-yl)-phenyl]-pentan-1-ol (871252-63-0)

Guidance literature:

n-butyl magnesium bromide; 4-(5-(trifluoromethyl)pyridin-2-yl)benzaldehyde; In tetrahydrofuran; at 0 - 20 ℃;

With hydrogenchloride; water; In tetrahydrofuran;

upstream raw materials:

4-formylphenylboronic acid,

2-chloro-5-trifluoromethylpyridine

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

2-bromo-5-(trifluoromethyl)pyridine

Downstream raw materials:

1-[4-(5-trifluoromethyl-pyridin-2-yl)-phenyl]-pentan-1-ol

(S)-N-({6-[(3-methyl-1-{4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}butyl)amino]pyridin-3-yl}carbonyl)-β-alanine

(S)-3-methyl-1-{4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}butan-1-amine

(S)-6-[(3-methyl-1-{4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}butyl)amino]nicotinic acid