4,4-Difluoropiperidine

Base Information

• Chemical Name: 4,4-Difluoropiperidine
• CAS No.: 21987-29-1
• Molecular Formula: C5H9F2N
• Molecular Weight: 121.13
• Hs Code.: 2933399090
• European Community (EC) Number: 808-638-9
• DSSTox Substance ID: DTXSID80374291
• Nikkaji Number: J2.738.686E
• Wikidata: Q72464077
• ChEMBL ID: CHEMBL1162292
• Mol file: 21987-29-1.mol

Synonyms:4,4-difluoropiperidine;21987-29-1;4,4-difluoro-Piperidine;4-difluoropiperidine;Piperidine, 4,4-difluoro-;MFCD03094281;difluoropiperidine;4,4-difluoropiperidin;4,4-difluro-piperidine;4,4-Difluoro-piperidinium;SCHEMBL13457;CHEMBL1162292;DTXSID80374291;NRQUVQNWTRTGKV-UHFFFAOYSA-N;AKOS005063363;AS-32676;SY011557;A4716;AM20090207;CS-0028285;FT-0654043;EN300-135736;J-514004;F2158-0926

Chemical Property of 4,4-Difluoropiperidine

Chemical Property:

• Vapor Pressure: 20mmHg at 25°C
• Boiling Point: 114.305 °C at 760 mmHg
• PKA: 8.20±0.10(Predicted)
• Flash Point: 22.931 °C
• PSA: 12.03000
• Density: 1.089 g/cm³
• LogP: 1.33390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 121.07030562
• Heavy Atom Count: 8
• Complexity: 74.5

Purity/Quality:

97% ^*data from raw suppliers

4,4-Difluoropiperidine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1(F)F

Technology Process of 4,4-Difluoropiperidine

There total 9 articles about 4,4-Difluoropiperidine 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: 100.0%

1-benzyl-4,4-difluoropiperidine (155137-18-1) → 4,4-difluoropiperidine (21987-29-1)

Guidance literature:

With palladium on carbon; hydrogen; In ethyl acetate; at 50 ℃;

Reference yield:

4,4-difluoropiperidine-1-formic acid tert-butyl ester (281652-10-6) → 4,4-difluoropiperidine (21987-29-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

Reference yield:

4,4-difluoropiperidine hydrochloride (144230-52-4) → 4,4-difluoropiperidine (21987-29-1)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 1h;

upstream raw materials:

1-benzyl-4,4-difluoropiperidine

1-phenylmethyl-4-piperidone

1-(2-phenylethyl)-4-piperidinone

4,4-difluoropiperidine-1-formic acid tert-butyl ester

Downstream raw materials:

4,4-Difluoro-1-(4-{3-[4-(1-trityl-1H-imidazol-4-ylmethyl)-piperidin-1-yl]-propoxy}-benzyl)-piperidine

1,1-dimethylethyl (2S)-4-({4-[{[6-(4,4-difluoro-1-piperidinyl)-3-pyridinyl]carbonyl}(methyl)amino]phenyl}methyl)-2-methyl-1-piperazinecarboxylate

ethyl 5,6-bis(4-chlorophenyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrazine-2-carboxylate

N-(4-chlorobenzyl)-6-[(4,4-difluoro-1-piperidinyl)methyl]-1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxamide