4-(Piperidin-1-ylmethyl)benzaldehyde

Base Information

• Chemical Name: 4-(Piperidin-1-ylmethyl)benzaldehyde
• CAS No.: 471929-86-9
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70428217
• Nikkaji Number: J2.459.241C
• Wikidata: Q82241017
• Mol file: 471929-86-9.mol

Synonyms:4-(piperidin-1-ylmethyl)benzaldehyde;471929-86-9;4-[(piperidin-1-yl)methyl]benzaldehyde;4-(1-piperidinylmethyl)benzaldehyde;Benzaldehyde,4-(1-piperidinylmethyl)-;SCHEMBL3717999;4-(Piperidinomethyl)benzaldehyde;DTXSID70428217;MFCD07772862;AKOS000346361;LS-04802;CS-0207083;FT-0644709;EN300-1197068;4-(Piperidin-1-ylmethyl)benzaldehyde, AldrichCPR;A827166;1-CARBOXY-4-HYDROXY-ALPHA-OXO-2,5-CYCLOHEXADIENE-1-PROPANOICACIDBARIUMSALT

Chemical Property of 4-(Piperidin-1-ylmethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.000403mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 316.7 °C at 760 mmHg
• Flash Point: 114.9 °C
• PSA: 20.31000
• Density: 1.084 g/cm³
• LogP: 2.42290
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

4-(Piperidin-1-ylmethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC2=CC=C(C=C2)C=O

Technology Process of 4-(Piperidin-1-ylmethyl)benzaldehyde

There total 11 articles about 4-(Piperidin-1-ylmethyl)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: 91.0%

piperidine (110-89-4) + 4-(bromomethyl)benzaldehyde (51359-78-5) → 4-[(piperidin-1-yl)methyl]-benzaldehyde (471929-86-9)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1016/j.saa.2019.117720

Reference yield: 87.0%

piperidine (110-89-4) + terephthalaldehyde mono(diethylacetal) (81172-89-6) → 4-[(piperidin-1-yl)methyl]-benzaldehyde (471929-86-9)

Guidance literature:

piperidine; terephthalaldehyde mono(diethylacetal); With titanium(IV) isopropylate; In ethanol; at 20 ℃; for 12h;

With sodium tetrahydroborate; In ethanol; for 12h;

DOI:10.1016/j.bmc.2004.03.009

Reference yield: 83.0%

potassium (piperidin-1-yl)methyltrifluoroborate + 4-chlorobenzaldehyde (104-88-1) → 4-[(piperidin-1-yl)methyl]-benzaldehyde (471929-86-9)

Guidance literature:

With caesium carbonate; palladium diacetate; XPhos; In water; at 95 ℃;

DOI:10.1021/jo800183q

upstream raw materials:

piperidine

terephthalaldehyde mono(diethylacetal)

4-chlorobenzaldehyde

N-(trifluoroboratomethyl)piperidine internal salt

Downstream raw materials:

C₂₇H₃₀N₄O

2,3-diamino-N₂-(4-(piperidin-1-ylmethyl)benzylidene)quinoxaline

(E)-1-(2-hydroxy-4,5-dimethoxyphenyl)-3-[4-(piperidin-1-ylmethyl)-phenyl]-prop-2-en-1-one

Refernces

• 1、 Li, Chunqing,Sun, Qi,Zhao, Qiang,Cheng, Xinjian. "Highly selective ratiometric fluorescent probes for the detection of Fe3+ and its application in living cells". . . Retrieved 2020.
• 2、 Wang, Caolin,Xu, Shan,Peng, Liang,Zhang, Bingliang,Zhang, Hong,Hu, Yingying,Zheng, Pengwu,Zhu, Wufu. "Design, synthesis and biological evaluation of novel 4-anlinoquinazoline derivatives as EGFR inhibitors with the potential to inhibit the gefitinib-resistant nonsmall cell lung cancers". . p. 204 - 218. Retrieved 2019/01/03.