tert-Butyl (1-cyclohexyl-3-oxopropan-2-yl)carbamate

Base Information

• Chemical Name: tert-Butyl (1-cyclohexyl-3-oxopropan-2-yl)carbamate
• CAS No.: 98105-42-1
• Molecular Formula: C14H25NO3
• Molecular Weight: 255.357
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30550548
• Mol file: 98105-42-1.mol

Synonyms:tert-Butyl (1-cyclohexyl-3-oxopropan-2-yl)carbamate;98105-42-1;TERT-BUTYL N-(1-CYCLOHEXYL-3-OXOPROPAN-2-YL)CARBAMATE;SCHEMBL1861194;DTXSID30550548;AB60779;EN300-1878578;TERT-BUTYL [(1S)-2-CYCLOHEXYL-1-FORMYLETHYL]CARBAMATE

Chemical Property of tert-Butyl (1-cyclohexyl-3-oxopropan-2-yl)carbamate

Chemical Property:

• PSA: 55.40000
• LogP: 3.43990
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 255.18344366
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1CCCCC1)C=O

Technology Process of tert-Butyl (1-cyclohexyl-3-oxopropan-2-yl)carbamate

There total 13 articles about tert-Butyl (1-cyclohexyl-3-oxopropan-2-yl)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: 96.0%

tert-butyl [(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]carbamate (103322-56-1) → (S)-2-(t-butoxycarbonylamino)-3-cyclohexyl-1-propanal (98105-42-1)

Guidance literature:

With sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine; In dichloromethane; at -10 ℃;

DOI:10.1016/j.bmcl.2003.09.088

Reference yield: 93.0%

(S)-α-[[(1,1-dimethylethoxy)carbonyl]amino]-N-methoxy-N-methylcyclohexanepropanamide (115766-13-7) → (S)-2-(t-butoxycarbonylamino)-3-cyclohexyl-1-propanal (98105-42-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1016/S0040-4039(00)91634-4

Reference yield:

→ (S)-2-(t-butoxycarbonylamino)-3-cyclohexyl-1-propanal (98105-42-1) + triethylamine (121-44-8)

Guidance literature:

upstream raw materials:

tert-butyl [(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]carbamate

(S)-α-[[(1,1-dimethylethoxy)carbonyl]amino]-N-methoxy-N-methylcyclohexanepropanamide

(S)-2-tert-butoxycarbonylamino-3-cyclohexylpropionic acid

di-tert-butyl dicarbonate

Downstream raw materials:

*,S^*)>-β-<<(1,1-dimethylethoxy)carbonyl>amino>-α-(2-propyl-1,3-dithian-2-yl)cyclohexanepropanol

(4S-trans)-4-(cyclohexylmethyl)-5-(2-furanyl)-2-oxazolidinone

2(S)-<(tert-butyloxycarbonyl)amino>-3-cyclohexyl-1(R)-hydroxy-1-(1-methyl-2-oxopyrrolidin-3-yl)propane

2(S)-<(tert-butyloxycarbonyl)amino>-3-cyclohexyl-1(S)-hydroxy-1-(1-methyl-2-oxopyrrolidin-3(S)-yl)propane