tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate

Base Information

• Chemical Name: tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate
• CAS No.: 871022-62-7
• Molecular Formula: C11H21FN2O2
• Molecular Weight: 232.298
• DSSTox Substance ID: DTXSID00697010
• Wikidata: Q72509862
• Mol file: 871022-62-7.mol

Synonyms:871022-62-7;tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;TERT-BUTYL (4-FLUOROPIPERIDIN-4-YL)METHYLCARBAMATE;tert-Butyl ((4-fluoropiperidin-4-yl)methyl)carbamate;4-(Boc-aminomethyl)-4-fluoropiperidine;Carbamic acid, [(4-fluoro-4-piperidinyl)methyl]-, 1,1-dimethylethyl ester;MFCD11973738;tert-Butyl [(4-fluoropiperidin-4-yl)methyl]carbamate;SCHEMBL1972449;4-TERT-BUTOXYCARBONYLAMINOMETHYL-4-FLUOROPIPERIDINE;DTXSID00697010;QBENUNRDGNUPQJ-UHFFFAOYSA-N;AMY33771;AKOS024102314;PB17897;AS-50863;CS-0047984;P11283;EN300-4350191;A841956;tert-Butyl((4-fluoropiperidin-4-yl)methyl)carbamate;tert-butyl N-[(4-fluoro-4-piperidyl)methyl]carbamate

Chemical Property of tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate

Chemical Property:

• Vapor Pressure: 0.00332mmHg at 25°C
• Boiling Point: 282.6°C at 760 mmHg
• PKA: 12.72±0.46(Predicted)
• Flash Point: 124.7°C
• PSA: 53.85000
• Density: 1.07g/cm³
• LogP: 2.13600
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 232.15870608
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

99%, ^*data from raw suppliers

tert-?Butyl(4-?Fluoro-?4-?piperidinyl)?methylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1(CCNCC1)F
• Uses: tert-?Butyl (4-?Fluoro-?4-?piperidinyl)?methylcarbamate is a reagent used in the preparation of cyanophenylglycine derivatives which may act as reversible inhibitors of lysine demethylase 1 which is involved in the differentiation of leukemia stem cells in ACM.

Technology Process of tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate

There total 5 articles about tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate 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: 58.0%

N-benzoyl-4-tert-butoxycarbonylaminomethyl-4-fluoropiperidine (871022-60-5) → tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate (871022-62-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 15h; Heating / reflux;

Reference yield:

benzyl 4-(((tert-butoxycarbonyl)amino)methyl)-4-fluoropiperidine-1-carboxylate → tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate (871022-62-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; methanol; for 8h;

Reference yield:

benzyl 1-oxa-6-aza-spiro[2.5]octane-6-carboxylate (77211-75-7) → tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate (871022-62-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: pyridine hydrofluoride / dichloromethane / 2 h / -10 - 20 °C

2.1: methanesulfonyl chloride; triethylamine / dichloromethane / 1 h / 0 - 20 °C

2.2: 48 h / 110 °C

3.1: triphenylphosphine; water / tetrahydrofuran / 15 h / 45 °C

3.2: 6 h / 0 - 20 °C

4.1: hydrogen; palladium 10% on activated carbon / tetrahydrofuran; methanol / 8 h

With pyridine hydrofluoride; palladium 10% on activated carbon; water; hydrogen; methanesulfonyl chloride; triethylamine; triphenylphosphine; In tetrahydrofuran; methanol; dichloromethane;

upstream raw materials:

N-benzoyl-4-tert-butoxycarbonylaminomethyl-4-fluoropiperidine

benzyl 1-oxa-6-aza-spiro[2.5]octane-6-carboxylate

benzyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

benzyl 4-(azidomethyl)-4-fluoropiperidine-1-carboxylate

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