885280-38-6

Basic information

• Product Name: (3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER
• Synonyms: TERT-BUTYL 3-OXOCYCLOHEXYLCARBAMATE;(3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER;3-N-BOC-AMINO CYCLOHEXANONE;tert-butyl N-(3-oxocyclohexyl)carbaMate;3-(Boc-aMino)cyclohexanone;(3-Oxo-cyclohexyl)-carbaMic acid benzyl ester;3-Aminocyclohexan-1-one, N-BOC protected;tert-Butyl (3-oxocyclohexyl)carbamate, 1-[(tert-Butoxycarbonyl)amino]-3-oxocyclohexane
• CAS NO: 885280-38-6
• Molecular Formula: C₁₁H₁₉NO₃
• Molecular Weight: 213.27
• Mol File: 885280-38-6.mol

Chemical Properties

• Boiling Point: 335.9 °C at 760 mmHg
• Flash Point: 157 °C
• Appearance: /Solid
• Density: 1.06 g/cm³
• Refractive Index: 1.474
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 12.01±0.20(Predicted)
• CAS DataBase Reference: (3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER(885280-38-6)
• EPA Substance Registry System: (3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER(885280-38-6)

Safety Data

• Hazardous Substances Data: 885280-38-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a chemical intermediate for the preparation of (benzyloxy)benzamides, which are TRPM8 antagonists. These antagonists have potential therapeutic applications in treating pain and inflammatory conditions by modulating the activity of the TRPM8 ion channel.

InChI:InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8H,4-7H2,1-3H3,(H,12,14)

Upstream product

• 930-68-7 cyclohexenone 
• 4248-19-5 tert-butyl carbazate 
• 3712-40-1 tert-butyl cyclohexylcarbamate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 610302-03-9 tert-butyl N-(3-hydroxycyclohexyl)carbamate 
• 6850-39-1 3-aminocyclohexanol 

Downstream Products

• 1119283-49-6 tert-butyl [3-(4-methylpiperazin-1-yl)cyclohexyl]carbamate 
• 1119283-52-1 methyl-[3-(4-methylpiperazin-1-yl)cyclohexyl]amine 
• 1119282-90-4 2-{2-[(4-methoxy-2,6-dimethylbenzenesulphonyl)methylamino]ethoxy}-N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide 
• 1119282-87-9 2-{2-[(4-methoxy-2,6-dimethylbenzenesulphonyl)methylamino]ethoxy}-N-methyl-N-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide 
• 1214910-70-9 C₁₆H₂₉N₃O₄ 
• 1214910-79-8 N'-(3-tert-butoxycarbonylamino-cyclohexyl)-hydrazinecarboxylic acid tert-butyl ester 
• 1383796-96-0 3-(tert-butoxycarbonylamino)-1-(2-phenyl-1,3-dithian-2-yl)cyclohexyl acetate 
• 1383797-55-4 tert-butyl 3-(benzylimino)cyclohexylcarbamate 
• 1383796-51-7 3-(tert-butoxycarbonylamino)-1-(3-fluorophenoxy)-cyclohexanecarboxylic acid 
• 1383796-49-3 C₁₆H₂₇NO₅ 
• 1383797-70-3 tert-butyl (5R)-1-oxaspiro[2.5]octan-5-ylcarbamate 
• 1383797-72-5 tert-butyl (5R)-1-oxaspiro[2.5]octan-5-ylcarbamate 
• 1383796-65-3 tert-butyl 3-(2-fluorobenzyl)-3-hydroxycyclohexylcarbamate 
• 1383797-02-1 (3-amino-1-hydroxycyclohexyl)(phenyl)methanone 

Relevant articles and documents

Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones

Phosphothreonine (pThr)-embedded peptide catalysts are found to mediate the reductive amination of 3-amidocyclohexanones with divergent selectivity. The choice of peptide sequence can be used to alter the diastereoselectivity to favor either the cis-product or trans-product, which are obtained in up to 93:7 er. NMR studies and DFT calculations are reported and indicate that both pathways rely on secondary interactions between substrate and catalyst to achieve selectivity. Furthermore, catalysts appear to accomplish a parallel kinetic resolution of the substrates. The facility for phosphopeptides to tune reactivity and access multiple products in reductive aminations may translate to the diversification of complex substrates, such as natural products, at numerous reactive sites.

SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE

Compounds having a structure of Formula (IX) or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof, wherein R1, R2a, R2b, R3a, R3b, R4a, R4b, Q1----Q2, R6, R7, A, B, W, x, and y are as defined herein and are provided. Pharmaceutical compositions comprising such compounds and methods for treating various HAT-related conditions or diseases, including cancer, by administration of such compounds are also provided.

SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH

Provided herein are diaminopyrimidyl Compounds having the following structures: wherein X, L, R1, and R2 are as defined herein, compositions comprising an effective amount of a Diaminopyrimidyl Compound, and methods for treating or preventing PKC-theta-mediated disorders, or a condition treatable or preventable by inhibition of a kinase, for example, PKC-theta.

Serendipity in drug-discovery: A new series of 2-(benzyloxy)benzamides as TRPM8 antagonists

A new series of 2-(benzyloxy)benzamides are presented that are potent functional antagonists of TRPM8 and possess improved LipE and LE compared to the original lead. They were discovered through a series of compound libraries and we present a powerful visualization method for the chemical space explored with each library. Remarkably this new series originated from the highest risk design strategy where compounds were synthesised with the least degree of similarity to the lead structure.

An unexpected oxidation of unactivated methylene C-H using DIB/TBHP protocol

An in situ generated hypervalent iodine species, bis(tert-butylperoxy) iodobenzene, was used as a peroxy radical source for the oxidation of unreactive, remote, and isolated alkyl (cyclic or aliphatic) esters and amides to the corresponding keto compounds under very mild conditions.

ACETYLENE DERIVATIVES

The invention provides compounds of formula (I) wherein R1 represents hydrogen or alkyl; R2 represents an unsubstituted or substituted heterocycle or R2 represents an unsubstituted or substituted aryl; R3 represents alkyl or halogen; X represents a single bond or an alkandiyl-group, optionally interrupted by one ore more oxygen atoms or carbonyl groups or carbonyloxy groups in free base or acid addition salt form, processes for their preparation and their use as pharmaceuticals.

PHENYLACETYLENE DERIVATIVES HAVING MGLUR5 RECEPTOR AFFINITY

The invention provides compounds of formula (I) wherein the substituents are as defined in the specification, to processes for their preparation and corresponding intermediates, and their use as modulators of the mglu5 receptor.