Tert-butyl cyclohexyl(3-oxopropyl)carbamate

Base Information

• Chemical Name: Tert-butyl cyclohexyl(3-oxopropyl)carbamate
• CAS No.: 917021-59-1
• Molecular Formula: C15H27NO3
• Molecular Weight: 255.357
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80693116
• Wikidata: Q82622139
• Mol file: 917021-59-1.mol

Synonyms:tert-butyl cyclohexyl(3-oxopropyl)carbamate;917021-59-1;N-Boc-3-Cyclohexylamino-propionaldehyde;TERT-BUTYL N-CYCLOHEXYL-N-(3-OXOPROPYL)CARBAMATE;Cyclohexyl-(3-oxo-propyl)-carbamic acid tert-butyl ester;SCHEMBL3763763;DTXSID80693116;N-Boc-3-Cyclohexylaminopropanaldehyde;N-Boc-3-Cyclohexylaminopropionaldehyde;FT-0767957;Q-102465

Chemical Property of Tert-butyl cyclohexyl(3-oxopropyl)carbamate

Chemical Property:

• Boiling Point: 370.161 °C at 760 mmHg
• Flash Point: 177.667 °C
• PSA: 46.61000
• Density: 1.016 g/cm³
• LogP: 3.14520
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 255.18344366
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

tert-Butylcyclohexyl(3-oxopropyl)carbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(CCC=O)C1CCCCC1

Technology Process of Tert-butyl cyclohexyl(3-oxopropyl)carbamate

There total 1 articles about Tert-butyl cyclohexyl(3-oxopropyl)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: 60.0%

ethyl N-tert-butoxycarbonyl-3-cyclohexylamino-propanoate (266690-54-4) → C14H25NO3 (917021-59-1)

Guidance literature:

ethyl N-tert-butoxycarbonyl-3-cyclohexylamino-propanoate; With diisobutylaluminium hydride; In toluene; at -78 - 70 ℃; for 2h;

With hydrogenchloride; In water; toluene; at -70 - 25 ℃; for 0.5h;

Reference yield: 78.0%

C14H25NO3 (917021-59-1) + tert-butyl (((1,4-trans)-4-aminocyclohexyl)methyl)carbamate (192323-07-2,866548-92-7) → C26H49N3O4 (917021-96-6)

Guidance literature:

C₁₄H₂₅NO₃; tert-butyl (((1,4-trans)-4-aminocyclohexyl)methyl)carbamate; In dichloromethane; at 25 ℃; for 2h;

With sodium tris(acetoxy)borohydride; In dichloromethane; at 25 ℃; for 12h;

Reference yield: 66.0%

benzyl ((trans-1,4)-4-(aminomethyl)cyclohexyl)carbamate + C14H25NO3 (917021-59-1) → C29H47N3O4

Guidance literature:

benzyl ((trans-1,4)-4-(aminomethyl)cyclohexyl)carbamate; C₁₄H₂₅NO₃; In dichloromethane; at 25 ℃; for 2h;

With sodium tris(acetoxy)borohydride; In dichloromethane; at 25 ℃;

With water; sodium hydrogencarbonate; In dichloromethane;

upstream raw materials:

ethyl N-tert-butoxycarbonyl-3-cyclohexylamino-propanoate

Downstream raw materials:

C₂₇H₄₅N₃O₄

C₂₀H₃₉N₃O₂

C₂₂H₃₇N₃O₂

C₂₃H₄₀ClN₅O₃

Refernces