tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate
• CAS No.: 479057-79-9
• Molecular Formula: C11H20ClNO2
• Molecular Weight: 233.73500
• Hs Code.: 2933399090
• European Community (EC) Number: 820-819-4
• DSSTox Substance ID: DTXSID30594745
• Wikidata: Q72502688
• Mol file: 479057-79-9.mol

Synonyms:479057-79-9;tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate;1-Boc-4-(chloromethyl)piperidine;4-Chloromethyl-piperidine-1-carboxylic acid tert-butyl ester;TERT-BUTYL 4-(CHLOROMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;MFCD08689676;1-Piperidinecarboxylic acid, 4-(chloromethyl)-, 1,1-dimethylethyl ester;SCHEMBL3591623;DTXSID30594745;CTSABEXZMPJSGO-UHFFFAOYSA-N;1-Boc-(4-Chloromethyl)piperidine;AC2610;AKOS005072409;EA-0707;SB43625;AM100867;DA-17295;SY029307;4-(Chloromethyl)piperidine, N-BOC protected;CS-0112988;EN300-300577;t-butyl 4-(chloromethyl)-1-piperidinecarboxylate;A872027

Chemical Property of tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate

Chemical Property:

• Melting Point: 49～51℃
• Boiling Point: 303.2±15.0 °C(Predicted)
• PKA: -1.82±0.40(Predicted)
• PSA: 29.54000
• Density: 1.076
• LogP: 2.81020
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 233.1182566
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

4-Chloromethyl-piperidine-1-carboxylicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CCl

Technology Process of tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate

There total 1 articles about tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate 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%

tert-butyl 4-(hydroxymethyl)piperidin-1-carboxylate (123855-51-6) → tert-butyl 4-(chloromethyl)piperidine-1-carboxylate (479057-79-9)

Guidance literature:

With tetrachloromethane; In dichloromethane; at 20 ℃;

Reference yield:

tert-butyl 4-(chloromethyl)piperidine-1-carboxylate (479057-79-9) + (R)-2-amino-N-(1-(4'-hydroxy-[1,1'-biphenyl]-4-carbonyl)pyrrolidin-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)nicotinamide → (R)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-(1-(4’-(piperidin-4-ylmethoxy)-[1,1‘-biphenyl]-4-carbonyl)pyrrolidin-3-yl)nicotinamide

Guidance literature:

tert-butyl 4-(chloromethyl)piperidine-1-carboxylate; (R)-2-amino-N-(1-(4'-hydroxy-[1,1'-biphenyl]-4-carbonyl)pyrrolidin-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)nicotinamide; With potassium carbonate; In acetone; at 60 ℃; for 12h;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h;

upstream raw materials:

tert-butyl 4-(hydroxymethyl)piperidin-1-carboxylate