1-Tert-butoxycarbonyl-4-(cyclopropylamino)piperidine

Base Information

• Chemical Name: 1-Tert-butoxycarbonyl-4-(cyclopropylamino)piperidine
• CAS No.: 179557-01-8
• Molecular Formula: C13H24 N2 O2
• Molecular Weight: 240.346
• Hs Code.: 2933399090
• European Community (EC) Number: 942-872-3,866-195-7
• DSSTox Substance ID: DTXSID30377777
• Wikidata: Q72510109
• ChEMBL ID: CHEMBL3456222
• Mol file: 179557-01-8.mol

Synonyms:179557-01-8;1-TERT-BUTOXYCARBONYL-4-(CYCLOPROPYLAMINO)PIPERIDINE;Tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate;4-Cyclopropylamino-piperidine-1-carboxylic acid tert-butyl ester;1-tert-Butoxycarbonyl-4-(cyclopropylamino)-piperidine;1-Boc-4-cyclopropylaminopiperidine;1-Boc-4-(cyclopropylamino)piperidine;1-boc-4-cyclopropylamino-piperidine;MFCD03426074;1-n-boc 4-(cyclopropylamino) piperidine;SCHEMBL743999;CHEMBL3456222;DTXSID30377777;GERLYNRROAQLRS-UHFFFAOYSA-N;AB1206;AKOS005901074;AB14769;PS-5942;AC-28247;AM100397;SY062730;CS-0046869;FT-0676553;EN300-53052;A881244;J-505126;tert-butyl 4-cyclopropylamino-piperidine-1-carboxylate;tert-butyl 4-cyclopropylaminopiperidine-1-carboxylate;Z445138350;4-Cyclopropylaminopiperidine-1-carboxylic acid tert-butyl ester;1-tert-Butoxycarbonyl-4-(cyclopropylamino)piperidine, AldrichCPR;1-PIPERIDINECARBOXYLIC ACID, 4-(CYCLOPROPYLAMINO)-, 1,1-DIMETHYLETHYL ESTER

Chemical Property of 1-Tert-butoxycarbonyl-4-(cyclopropylamino)piperidine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 329.7°Cat760mmHg
• PKA: 8.89±0.20(Predicted)
• Flash Point: 153.2°C
• PSA: 41.57000
• Density: 1.06g/cm³
• LogP: 2.46670
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 240.183778013
• Heavy Atom Count: 17
• Complexity: 274

Purity/Quality:

99.3% ^*data from raw suppliers

1-Boc-4-cyclopropylaminopiperidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)NC2CC2

Technology Process of 1-Tert-butoxycarbonyl-4-(cyclopropylamino)piperidine

There total 4 articles about 1-Tert-butoxycarbonyl-4-(cyclopropylamino)piperidine 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: 88.0%

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) + Cyclopropylamine (765-30-0) → 4-cyclopropylamino-piperidine-1-carboxylic acid tert-butyl ester (179557-01-8)

Guidance literature:

N-tert-butyloxycarbonylpiperidin-4-one; Cyclopropylamine; With triethylamine; zinc(II) chloride; In methanol; at 60 ℃; for 7h;

With sodium cyanoborohydride; In methanol; at 25 ℃; for 17h;

Reference yield:

4-piperidone hydrochloride (41979-39-9) → 4-cyclopropylamino-piperidine-1-carboxylic acid tert-butyl ester (179557-01-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / tetrahydrofuran / 0.08 h

1.2: 12 h / 20 °C

2.1: acetic acid / ethanol / 0.5 h

2.2: 2 h / 20 °C

With acetic acid; triethylamine; In tetrahydrofuran; ethanol;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → 4-cyclopropylamino-piperidine-1-carboxylic acid tert-butyl ester (179557-01-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / tetrahydrofuran / 0.08 h

1.2: 12 h / 20 °C

2.1: acetic acid / ethanol / 0.5 h

2.2: 2 h / 20 °C

With acetic acid; triethylamine; In tetrahydrofuran; ethanol;

upstream raw materials:

N-tert-butyloxycarbonylpiperidin-4-one

Cyclopropylamine

4-piperidone hydrochloride

di-tert-butyl dicarbonate

Downstream raw materials:

N-cyclopropyl-N-methylpiperidin-4-amine

C₁₆H₂₂FN₃O*ClH

2-{cyclopropyl-[1-(3-trifluoromethylbenzenesulfonyl)-piperidin-4-yl]amino}-N-(4-fluorophenyl)acetamide

4-[(4-bromo-3-methyl-benzoyl)-cyclopropyl-amino]-piperidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "Quinazoline derivatives, composition and application thereof". Paragraph 0214; 0215. . Retrieved 2018/07/06.
• 2、 -. "HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR". Paragraph 0106. . Retrieved 2017/04/11.